(E)-N-Neopentyl-thioformamid | 31681-15-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硫代羧酸及其衍生物
• 英文名称: (E)-N-Neopentyl-thioformamid
• 英文别名: (Z)-N-Neopentyl-thioformamid；N-(2,2-dimethylpropyl)methanethioamide
• CAS: 31681-15-9
• 化学式: C₆H₁₃NS
• mdl: MFCD19217862
• 分子量: 131.242
• InChiKey: KCLSSYWKOICPIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  44.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  三甲基氯硅烷 、 (E)-N-Neopentyl-thioformamid 生成
  参考文献：
  名称：

  Walter,W. et al., Justus Liebigs Annalen der Chemie, 1975, p. 1808 - 1821

  摘要：

  DOI：

文献信息

• [EN] BENZOPYRAN DERIVATIVES, METHOD OF PRODUCTION AND USE THEREOF<br/>[FR] DERIVES DE BENZOPYRANE, PROCEDE DE PRODUCTION ET D'UTILISATION DE CEUX-CI
  申请人：UNIV LIEGE

  公开号：WO2005075463A1

  公开（公告）日：2005-08-18

  The invention relates to novel benzopyran derivatives of formula (I), to their method of production, to composition comprising the derivatives and use thereof. Formula (I) wherein: R1, R2, R3 and R4 are independently hydrogen, halogen, C1-6-alkyl. C3-8­-cycloalkyl, hydroxy, C1-6-alkoxy, C1-6-alkoxy-C1-6-alkyl, nitro, amino, cyano, cyanomethyl, perhalomethyl, C1-6-monoalkyl- or dialkylamino, sulfamoyl, C1-6-alkylthio, C1-6-alkylsulfonyl, C1-6-alkylsulfinyl, formyl, C1-6-alkylcarbonylamino, R8arylthio, R8arylsulfinyl, R8arylsulfonyl, C1-6-alkoxycarbonyl, C1-6-alkoxycarbonyl-C1-6-alkyl, carbamoyl, carbamoylmethyl, C1-6-monoalkyl- or dialkylaminocarbonyl, C1-6-monoalkyl- or dialkylaminothiocarbonyl, ureido, C1-6-monoalkyl- or dialkylaminocarbonylamino, thioureido, C1-6-monoalkyl- or dialkylaminothiocarbonylamino, C1-6-monoalkyl- or dialkylaminosulfonyl, carboxy, carboxy-C1-6-alkyl, acyl, R8aryl, R8aryl-C1-6-alkyl, R8aryloxy; R5 and R6 are each independently hydrogen, C1-6-alkyl or, R5 and R6 taken together with the carbon atom to which they are attached form a 3- to 6-membered carbocyclic ring; R7 is 2-, 3- or 4-pyridyl optionally mono- or polysubstituted by R1; R7 is 2- or 3-thienyl optionally mono- or polysubstituted substituted by R1 or R7 is phenyl optionally mono- or polysubstituted by R1 with the exception of or R7 representing C6H5 ; R8 is hydrogen, halogen, C1-6-alkyl, C3-8-cycloalkyl, hydroxy, C1-6-alkoxy, nitro, amino, cyano, cyanomethyl, perhalomethyl; or a salt thereof with a pharmaceutically acceptable acid or base, or any optical isomer or mixture of optical isomers, including a racemic mixture or any polymorphic and tautomeric form.

  该发明涉及公式（I）的新型苯并吡喃衍生物，以及它们的生产方法、包含这些衍生物的组合物和它们的用途。公式（I）中：R1、R2、R3和R4独立地为氢、卤素、C1-6-烷基、C3-8-环烷基、羟基、C1-6-烷氧基、C1-6-烷氧基-C1-6-烷基、硝基、氨基、氰基、氰甲基、全卤甲基、C1-6-单烷基或二烷基氨基、磺酰胺基、C1-6-烷基硫基、C1-6-烷基磺酰基、C1-6-烷基亚磺酰基、甲酰基、C1-6-烷基羰胺基、R8芳基硫基、R8芳基亚磺酰基、R8芳基磺酰基、C1-6-烷氧羰基、C1-6-烷氧羰基-C1-6-烷基、氨基甲酰基、氨基甲基、C1-6-单烷基或二烷基氨基甲酰基、C1-6-单烷基或二烷基氨基硫酰基、脲基、C1-6-单烷基或二烷基氨基甲酰胺基、硫脲基、C1-6-单烷基或二烷基氨基硫酰胺基、C1-6-单烷基或二烷基氨基磺酰基、羧基、羧基-C1-6-烷基、酰基、R8芳基、R8芳基-C1-6-烷基、R8芳氧基；R5和R6各自独立地为氢、C1-6-烷基或者R5和R6与它们连接的碳原子一起形成3-至6-成员的碳环；R7为2-、3-或4-吡啶基，可选地通过R1单取代或多取代；R7为2-或3-噻吩基，可选地通过R1单取代或多取代，或者R7为苯基，可选地通过R1单取代或多取代，但不包括R7代表C6H5；R8为氢、卤素、C1-6-烷基、C3-8-环烷基、羟基、C1-6-烷氧基、硝基、氨基、氰基、氰甲基、全卤甲基；或其与药学上可接受的酸或碱形成的盐，或任何光学异构体或光学异构体混合物，包括消旋混合物或任何多形和互变异构体。
• Novel isoindole derivatives
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：US20040053923A1

  公开（公告）日：2004-03-18

  This invention relates to compounds represented by the general formula [I] 1 wherein, R represents an azido group, etc., R 1 and R 2 are the same or different and represent hydrogen atoms, etc., R 3 and R 4 are the same or different and represent hydrogen atoms, etc., X 1 represents an oxygen atom, etc., X 2 represents an oxygen atom, etc., Y represents an oxygen atom, etc., and Z represents a condensed aryl group, etc., or a pharmaceutically acceptable salt thereof, preparation processes thereof, and an agent for treating diabetes, a prophylactic agent for chronic complications of diabetes or a drug against obesity, containing, as an effective ingredient, the compound or the pharmaceutically acceptable salt thereof.

  本发明涉及由一般式[I]1表示的化合物，其中，R代表叠氮基等，R1和R2相同或不同，代表氢原子等，R3和R4相同或不同，代表氢原子等，X1代表氧原子等，X2代表氧原子等，Y代表氧原子等，Z代表紧缩芳基基团等，或其药学上可接受的盐，其制备方法以及作为治疗糖尿病的药物、预防糖尿病慢性并发症的预防剂或抗肥胖药物的有效成分，包含该化合物或其药学上可接受的盐。
• Benzopyran derivatives, method of production and use thereof
  申请人：Sebille Sophie

  公开号：US20070112063A1

  公开（公告）日：2007-05-17

  The invention relates to novel benzopyran derivatives of formula I, to their method of production, to composition comprising the derivatives and use thereof. wherein: R 1 , R 2 , R 3 and R 4 are independently hydrogen, halogen, C 1-6 -alkyl, C 3-8 -cycloalkyl, hydroxy, C 1-6 -alkoxy, C 1-6 -alkoxy-C 1-6 -alkyl, nitro, amino, cyano, cyanomethyl, perhalomethyl, C 1-6 -monoalkyl- or dialkylamino, sulfamoyl, C 1-6 -alkylthio, C 1-6 -alkylsulfonyl, C 1-6 -alkylsulfinyl, formyl, C 1-6 -alkylcarbonylamino, R 8 arylthio, R 8 arylsulfinyl, R 8 arylsulfonyl, C 1-6 -alkoxycarbonyl, C 1-6 -alkoxycarbonyl-C 1-6 -alkyl, carbamoyl, carbamoylmethyl, C 1-6 -monoalkyl- or dialkylaminocarbonyl, C 1-6 -monoalkyl- or dialkylaminothiocarbonyl, ureido, C 1-6 -monoalkyl- or dialkylaminocarbonylamino, thioureido, C 1-6 -monoalkyl- or dialkylaminothiocarbonylamino, C 1-6 -monoalkyl- or dialkylaminosulfonyl, carboxy, carboxy-C 1-6 -alkyl, acyl, R 8 aryl, R 8 aryl-C 1-6 -alkyl, R 8 aryloxy; R 5 and R 6 are each independently hydrogen, C 1-6 -alkyl or, R 5 and R 6 taken together with the carbon atom to which they are attached form a 3- to 6-membered carbocyclic ring; R 7 is 2-, 3- or 4-pyridyl optionally mono- or polysubstituted by R 1 ; R 7 is 2- or 3-thienyl optionally mono- or polysubstituted substituted by R 1 or R 7 is phenyl optionally mono- or polysubstituted by R 1 with the exception of or R 7 representing C 6 H 5 ; R 8 is hydrogen, halogen, C 1-6 -alkyl, C 3-8 -cycloalkyl, hydroxy, C 1-6 -alkoxy, nitro, amino, cyano, cyanomethyl, perhalomethyl; or a salt thereof with a pharmaceutically acceptable acid or base, or any optical isomer or mixture of optical isomers, including a racemic mixture or any polymorphic and tautomeric form.

  本发明涉及式I的新型苯并吡喃衍生物，其制备方法，包含这些衍生物的组合物以及它们的用途。其中：R1、R2、R3和R4独立地表示氢、卤素、C1-6烷基、C3-8环烷基、羟基、C1-6烷氧基、C1-6烷氧基-C1-6烷基、硝基、氨基、氰基、氰甲基、多卤甲基、C1-6单烷基或二烷基氨基、磺酰氨基、C1-6烷基硫醇基、C1-6烷基磺酰基、C1-6烷基亚磺酰基、甲酰基、C1-6烷基羰基氨基、R8芳基硫基、R8芳基亚磺酰基、R8芳基磺酰基、C1-6烷氧羰基、C1-6烷氧羰基-C1-6烷基、氨基甲酰基、氨基甲基、C1-6单烷基或二烷基氨基羰基、C1-6单烷基或二烷基氨基硫氧基、尿素基、C1-6单烷基或二烷基氨基羰基氨基、硫脲基、C1-6单烷基或二烷基氨基硫脲基、C1-6单烷基或二烷基氨基磺酰基、羧基、羧基-C1-6烷基、酰基、R8芳基、R8芳基-C1-6烷基、R8芳氧基；R5和R6各自独立地表示氢、C1-6烷基或者R5和R6结合到它们所连接的碳原子上形成3-6成员的碳环；R7是2-、3-或4-吡啶基，可选地被R1单或多取代；R7是2-或3-噻吩基，可选地被R1单或多取代，或者R7是苯基，可选地被R1单或多取代，但不包括R7代表C6H5；R8表示氢、卤素、C1-6烷基、C3-8环烷基、羟基、C1-6烷氧基、硝基、氨基、氰基、氰甲基、多卤甲基或其药学上可接受的酸或碱盐，或任何光学异构体或光学异构体混合物，包括外消旋混合物或任何多态和互变异构体。
• NOVEL ISOINDOLE DERIVATIVES
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP1207161A1

  公开（公告）日：2002-05-22

  This invention relates to compounds represented by the general formula [I] wherein, R represents an azido group, etc., R1 and R2 are the same or different and represent hydrogen atoms, etc., R3 and R4 are the same or different and represent hydrogen atoms, etc., X1 represents an oxygen atom, etc., X2 represents an oxygen atom, etc., Y represents an oxygen atom, etc., and Z represents a condensed aryl group, etc., or a pharmaceutically acceptable salt thereof, preparation processes thereof, and an agent for treating diabetes, a prophylactic agent for chronic complications of diabetes or a drug against obesity, containing, as an effective ingredient, the compound or the pharmaceutically acceptable salt thereof.

  本发明涉及通式[I]所代表的化合物 其中，R代表叠氮基等，R1和R2相同或不同且代表氢原子等，R3和R4相同或不同且代表氢原子等，X1代表氧原子等，X2代表氧原子等，Y代表氧原子等，Z代表缩合芳基等、或其药学上可接受的盐、其制备工艺，以及含有该化合物或其药学上可接受的盐作为有效成分的治疗糖尿病的药物、治疗糖尿病慢性并发症的预防药物或防治肥胖症的药物。
• BENZOPYRAN DERIVATIVES, METHOD OF PRODUCTION AND USE THEREOF
  申请人：Université de Liège

  公开号：EP1716141A1

  公开（公告）日：2006-11-02