A new procedure for benzoylation of aromatic and aliphatic amines has been developed in neat phase without use of any solvent or alkali.
提出了一种不使用任何溶剂和碱的纯相苯甲酰化芳族胺和脂肪胺的新工艺。
{"title":"Benzoylation of Amines sans Alkali: A Green Protocol in Neat Phase","authors":"Somnath Ghosh, Jhantu Das","doi":"10.1155/2010/743186","DOIUrl":"https://doi.org/10.1155/2010/743186","url":null,"abstract":"A new procedure for benzoylation of aromatic and aliphatic amines has been developed in neat phase without use of any solvent or alkali.","PeriodicalId":19688,"journal":{"name":"Organic Chemistry International","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2010-12-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83337550","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
K. Hosni, Amel Kerkenni, Wafa Medfei, N. Brahim, H. Sebei
The volatile oils of R. canina flowers were isolated by hydrodistillation (HD) and traditional dry distillation (DD) and analyzed by HRGC-FID and GC-MS. Compared to HD, DD at 50°C leads to the isolation of high quality oil which contains the highest content of oxygenated compounds (83%). The main components are the 2-phenethyl alcohol and eugenol. The percentage of the 2-phenethyl alcohol, a highly desirable component in rose oil, was significantly higher (58.4%) in DD extract when compared to that of HD one (13.6%). As temperature increased (100°C) during DD, the oil quality decreased. The most significant changes were observed in 2-phenethyl alcohol percentage (4.5%). Moreover, an increase of alkanes/alkenes and the production of furan derivatives were observed. So, DD at moderate temperature (50°C) seemed more suitable to improve the volatile oil quality and hence, to make more value of R. canina.
{"title":"Volatile Oil Constituents of Rosa canina L.: Quality As Affected by the Distillation Method","authors":"K. Hosni, Amel Kerkenni, Wafa Medfei, N. Brahim, H. Sebei","doi":"10.1155/2010/621967","DOIUrl":"https://doi.org/10.1155/2010/621967","url":null,"abstract":"The volatile oils of R. canina flowers were isolated by hydrodistillation (HD) and traditional dry distillation (DD) and analyzed by HRGC-FID and GC-MS. Compared to HD, DD at 50°C leads to the isolation of high quality oil which contains the highest content of oxygenated compounds (83%). The main components are the 2-phenethyl alcohol and eugenol. The percentage of the 2-phenethyl alcohol, a highly desirable component in rose oil, was significantly higher (58.4%) in DD extract when compared to that of HD one (13.6%). As temperature increased (100°C) during DD, the oil quality decreased. The most significant changes were observed in 2-phenethyl alcohol percentage (4.5%). Moreover, an increase of alkanes/alkenes and the production of furan derivatives were observed. So, DD at moderate temperature (50°C) seemed more suitable to improve the volatile oil quality and hence, to make more value of R. canina.","PeriodicalId":19688,"journal":{"name":"Organic Chemistry International","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2010-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80801927","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Roshini K. Thumpakara, B. Jose, P. A. Unnikrishnan, S. Prathapan, N. Rath
Irradiation of 3-methoxy-3-aryl-3H-1-oxacyclopenta[l]phenanthren-2-one derivatives 5a–d resulted in singlet-mediated decarbonylation reaction leading to the formation of phenanthrene derivatives 9a–d. The structure of the photoproduct was unequivocally established on the basis of X-ray crystallographic analysis.
{"title":"Effect of a Strategically Positioned Methoxy Substituent on the Photochemistry of 3-Aryl-3H-1-Oxacyclopenta[l]Phenanthren-2-Ones","authors":"Roshini K. Thumpakara, B. Jose, P. A. Unnikrishnan, S. Prathapan, N. Rath","doi":"10.1155/2010/764185","DOIUrl":"https://doi.org/10.1155/2010/764185","url":null,"abstract":"Irradiation of 3-methoxy-3-aryl-3H-1-oxacyclopenta[l]phenanthren-2-one derivatives 5a–d resulted in singlet-mediated decarbonylation reaction leading to the formation of phenanthrene derivatives 9a–d. The structure of the photoproduct was unequivocally established on the basis of X-ray crystallographic analysis.","PeriodicalId":19688,"journal":{"name":"Organic Chemistry International","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2010-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72851313","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Synthesis, characterization, and antimicrobial activity of tridentate Schiffbase ligands containing pyrazolone moiety (3a and 3b) and their transition metal complexes of VO(II), Cu(II), Fe(III), and Co(II) 4a–h have been investigated. The complexes show enhanced antibacterial activity against S. aureus, E. coli, and S. typhi and antifungal activity against C. albicans, Rhizopus sp., and A. niger compared to the ligands.
{"title":"Synthesis and Antimicrobial Studies of Tridentate Schiff Base Ligands with Pyrazolone Moiety and Their Metal Complexes","authors":"R. Jayarajan, G. Vasuki, P. S. Rao","doi":"10.1155/2010/648589","DOIUrl":"https://doi.org/10.1155/2010/648589","url":null,"abstract":"Synthesis, characterization, and antimicrobial activity of tridentate Schiffbase ligands containing pyrazolone moiety (3a and 3b) and their transition metal complexes of VO(II), Cu(II), Fe(III), and Co(II) 4a–h have been investigated. The complexes show enhanced antibacterial activity against S. aureus, E. coli, and S. typhi and antifungal activity against C. albicans, Rhizopus sp., and A. niger compared to the ligands.","PeriodicalId":19688,"journal":{"name":"Organic Chemistry International","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2010-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80913498","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The sesquiterpene lactones guaia-1(10),11(13)-dieno-4α-hydroxy,9α-acetyl-15-iodine-12,6α-lactone (2), guaia-1(10),4(15),11(13)-trieno-9α-hydroxy-12,6α-lactone (3), (11S)-guaia-4(15),10(14)-dieno-9α-hydroxy-13-methoxy-12,6α-lactone (4), (11S)-guai-1(10)-eno-4α,9α-dihydroxy-13-methoxy-12,6α-lactone (5), and guaia-1(10),11(13)-dieno-4α,9α-dihydroxy-15-iodine-12,6α-lactone (6) were previously obtained starting from the natural product eremanthine (1). In this paper we report the catalytic hydrogenation reactions of allylic derivatives 2–5 and the methanol addition to α-methylene-γ-lactone of the iodohydrin 6.
{"title":"Study of Catalytic Hydrogenation and Methanol Addition to α-Methylene-γ-Lactone of Eremanthine Derivatives","authors":"J. Alves","doi":"10.1155/2010/603436","DOIUrl":"https://doi.org/10.1155/2010/603436","url":null,"abstract":"The sesquiterpene lactones guaia-1(10),11(13)-dieno-4α-hydroxy,9α-acetyl-15-iodine-12,6α-lactone (2), guaia-1(10),4(15),11(13)-trieno-9α-hydroxy-12,6α-lactone (3), (11S)-guaia-4(15),10(14)-dieno-9α-hydroxy-13-methoxy-12,6α-lactone (4), (11S)-guai-1(10)-eno-4α,9α-dihydroxy-13-methoxy-12,6α-lactone (5), and guaia-1(10),11(13)-dieno-4α,9α-dihydroxy-15-iodine-12,6α-lactone (6) were previously obtained starting from the natural product eremanthine (1). In this paper we report the catalytic hydrogenation reactions of allylic derivatives 2–5 and the methanol addition to α-methylene-γ-lactone of the iodohydrin 6.","PeriodicalId":19688,"journal":{"name":"Organic Chemistry International","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2010-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77382893","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
2-Aroyl-3,3-bis(alkylsulfanyl)acrylaldehydes reacted with various primary amines, namely, o-phenylenediamine, ethylenediamine, and anilines to produce functionalized oxoketene-N,S-acetals and N,N-acetals in good yields. Imidazolo derivatives synthesized with o-phenylenediamine and ethylenediamine containing a formyl group could act as valuable starting materials for a variety of substituted heterocyclic compounds.
2-芳基-3,3-双(烷基磺胺基)丙烯醛与各种伯胺，即邻苯二胺、乙二胺和苯胺反应，产率高，可制得功能化氧烯-N, s -缩醛和N,N-缩醛。含甲酰基的邻苯二胺和乙二胺合成的咪唑衍生物可作为多种取代杂环化合物的有价值的起始原料。
{"title":"A Facile Method for the Synthesis of Oxoketene-N,S- and -N,N-acetals from Reactions of Amino Compounds","authors":"A. Mathews, E. R. Anabha, C. Sholly","doi":"10.1155/2010/396020","DOIUrl":"https://doi.org/10.1155/2010/396020","url":null,"abstract":"2-Aroyl-3,3-bis(alkylsulfanyl)acrylaldehydes reacted with various primary amines, namely, o-phenylenediamine, ethylenediamine, and anilines to produce functionalized oxoketene-N,S-acetals and N,N-acetals in good yields. Imidazolo derivatives synthesized with o-phenylenediamine and ethylenediamine containing a formyl group could act as valuable starting materials for a variety of substituted heterocyclic compounds.","PeriodicalId":19688,"journal":{"name":"Organic Chemistry International","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2010-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88542473","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The structure of Poly[(acetone-O)-3-((3,4-dimethoxyphenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)-(2-oxo-2H-chromen-4-olate)sodium] was determined by X-ray crystallography. The compound crystallizes in an orthorhombic system and was characterized thus P , (2) A, (3) A, A. , (10) A3. The crystal structure was solved by direct methods and refined by full-matrix least-squares on to final values of and .
{"title":"Crystal Structure of Poly[(acetone-O)-3-((3,4-dimethoxyphenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)-(2-oxo-2H-chromen-4-olate)sodium]","authors":"A. Penkova, P. Retailleau, I. Manolov","doi":"10.1155/2010/564256","DOIUrl":"https://doi.org/10.1155/2010/564256","url":null,"abstract":"The structure of Poly[(acetone-O)-3-((3,4-dimethoxyphenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)-(2-oxo-2H-chromen-4-olate)sodium] was determined by X-ray crystallography. The compound crystallizes in an orthorhombic system and was characterized thus P , (2) A, (3) A, A. , (10) A3. The crystal structure was solved by direct methods and refined by full-matrix least-squares on to final values of and .","PeriodicalId":19688,"journal":{"name":"Organic Chemistry International","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2010-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90008382","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The analgesic drug nefopam reacts in superacidic media to form a dicationic superelectrophiles by ring opening. The dication species is capable of reacting with arenes in Friedel-Crafts-type conversions. This chemistry is used to prepare novel derivatives of nefopam.
{"title":"Superacid-Induced Reactions of Nefopam","authors":"Larecia Knoecer, Daniel J. DeSchepper, D. Klumpp","doi":"10.1155/2010/496818","DOIUrl":"https://doi.org/10.1155/2010/496818","url":null,"abstract":"The analgesic drug nefopam reacts in superacidic media to form a dicationic superelectrophiles by ring opening. The dication species is capable of reacting with arenes in Friedel-Crafts-type conversions. This chemistry is used to prepare novel derivatives of nefopam.","PeriodicalId":19688,"journal":{"name":"Organic Chemistry International","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2010-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89311006","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Quantum chemical parameters such as LUMO energy, HOMO energy, ionization energy (I), electron affinity (A), chemical potential (), hardness () electronegativity (), philicity (), and electrophilicity () of a series of aliphatic compounds are calculated at the B3LYP/6-31G(d) level of theory. Quantitative structure-activity relationship (QSAR) models are developed for predicting the toxicity () of 13 classes of aliphatic compounds, including 171 electron acceptors and 81 electron donors, towards Tetrahymena pyriformis. The multiple linear regression modeling of toxicity of these compounds is performed by using the molecular descriptor log P (1-octanol/water partition coefficient) in conjunction with two other quantum chemical descriptors, electrophilicity () and energy of the lowest unoccupied molecular orbital (). A comparison is made towards the toxicity predicting the ability of electrophilicity () versus as a global chemical reactivity descriptor in addition to log P. The former works marginally better in most cases. There is a slight improvement in the quality of regression by changing the unit of from mg/L to molarity and by removing the racemates and the diastereoisomers from the data set.
{"title":"A Comparative Study of Two Quantum Chemical Descriptors in Predicting Toxicity of Aliphatic Compounds towards Tetrahymena pyriformis","authors":"A. H. Pandith, S. Giri, P. Chattaraj","doi":"10.1155/2010/545087","DOIUrl":"https://doi.org/10.1155/2010/545087","url":null,"abstract":"Quantum chemical parameters such as LUMO energy, HOMO energy, ionization energy (I), electron affinity (A), chemical potential (), hardness () electronegativity (), philicity (), and electrophilicity () of a series of aliphatic compounds are calculated at the B3LYP/6-31G(d) level of theory. Quantitative structure-activity relationship (QSAR) models are developed for predicting the toxicity () of 13 classes of aliphatic compounds, including 171 electron acceptors and 81 electron donors, towards Tetrahymena pyriformis. The multiple linear regression modeling of toxicity of these compounds is performed by using the molecular descriptor log P (1-octanol/water partition coefficient) in conjunction with two other quantum chemical descriptors, electrophilicity () and energy of the lowest unoccupied molecular orbital (). A comparison is made towards the toxicity predicting the ability of electrophilicity () versus as a global chemical reactivity descriptor in addition to log P. The former works marginally better in most cases. There is a slight improvement in the quality of regression by changing the unit of from mg/L to molarity and by removing the racemates and the diastereoisomers from the data set.","PeriodicalId":19688,"journal":{"name":"Organic Chemistry International","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2010-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90552039","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
5-Methoxy-2-phenyloxazole was deprotonated at (by -BuLi or LDA, in THF at −78). The resulting anion was generally unreactive to alkylation (except methylation with MeI-TMEDA) but added to PhCHO and CHCHO. The alcohols thus produced dehydrated and ring opened in acid, to the corresponding ,-dehydroamino acids in moderate overall yields.
{"title":"Directed Metalation of Heterocycles, 5-Methoxy-2-phenyloxazol-4-yllithium: An Approach to ,-Dehydroamino Acids","authors":"S. Chandrasekhar, M. Srimannarayana","doi":"10.1155/2010/452956","DOIUrl":"https://doi.org/10.1155/2010/452956","url":null,"abstract":"5-Methoxy-2-phenyloxazole was deprotonated at (by -BuLi or LDA, in THF at −78). The resulting anion was generally unreactive to alkylation (except methylation with MeI-TMEDA) but added to PhCHO and CHCHO. The alcohols thus produced dehydrated and ring opened in acid, to the corresponding ,-dehydroamino acids in moderate overall yields.","PeriodicalId":19688,"journal":{"name":"Organic Chemistry International","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2010-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79765785","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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