3-Cyano-1-methyl-pyrrol | 7126-46-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 3-Cyano-1-methyl-pyrrol
• 英文别名: 1-methyl-1H-pyrrole-3-carbonitrile；1-methylpyrrole-3-carbonitrile
• CAS: 7126-46-7
• 化学式: C₆H₆N₂
• mdl: MFCD11111734
• 分子量: 106.127
• InChiKey: VZSLEHOZJCZYJD-UHFFFAOYSA-N

物化性质

• 沸点：
  65-70 °C(Press: 0.1 Torr)
• 密度：
  0.99±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  28.7
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• WGK Germany：
  3

反应信息

• 作为产物：
  描述：

  1-甲基-4-氰基吡咯-2-甲醛 在 palladium on activated charcoal 氢气 作用下， 反应 0.75h， 以83%的产率得到3-Cyano-1-methyl-pyrrol
  参考文献：
  名称：

  Loader, Charles E.; Anderson, Hugh J., Canadian Journal of Chemistry, 1981, vol. 59, p. 2673 - 2676

  摘要：

  DOI：

文献信息

• Azaindoles
  申请人：——

  公开号：US20040009983A1

  公开（公告）日：2004-01-15

  The invention is directed to compositions containing physiologically active compounds of general formula (I): 1 wherein R 1 is aryl or heteroaryl; R 2 represents hydrogen, acyl, cyano, halo, lower alkenyl or lower alkyl optionally substituted by a substituent selected from cyano, heteroaryl, heterocycloalkyl, —Z 1 R 8 , —C(═O)—NY 3 Y 4 , —CO 2 R 8 , —NY 3 Y 4 , —N(R 6 )—C(═O)—R 7 , —N(R 6 )—C(═O)—NY 3 Y 4 , —N(R 6 )—C(═O)—OR 7 , —N(R 6 )—SO 2 —R 7 , —N(R 6 )—SO 2 —NY 3 Y 4 and one or more halogen a toms ; R 3 represents hydrogen, aryl, cyano, halo, heteroaryl, lower alkyl, —C(═O)—OR 5 or —C(═O)—NY 3 Y; and X 1 represents N, CH, C-halo, C—CN, C—R 7 , C—NY 3 Y 4 , C—OH, C—Z 2 R 7 , C—C(═O)—OR 5 , C—C(═O)—NY 3 Y 4 , C—N(R 8 )—C(═O)—R 7 , C—SO 2 —NY 3 Y 4 , C—N(R 8 )—SO 2 —R 7 , C-alkenyl, C-alkynyl or C—NO 2 ; and their prodrugs, and pharmaceutically acceptable salts and solvates of such compounds and their prodrugs, as well as to novel compounds within the scope of formula (I). Such compounds and compositions have valuable pharmaceutical properties, in particular the ability to inhibit protein kinases.

  这项发明涉及含有一般式（I）中生理活性化合物的组合物：其中R1为芳基或杂芳基；R2代表氢、酰基、氰基、卤素、可选择地由氰基、杂芳基、杂环烷基、—Z1R8、—C（═O）—NY3Y4、—CO2R8、—NY3Y4、—N(R6)—C（═O）—R7、—N(R6)—C（═O）—NY3Y4、—N(R6)—C（═O）—OR7、—N(R6)—SO2—R7、—N(R6)—SO2—NY3Y4和一个或多个卤原子取代的较低烯基或较低烷基；R3代表氢、芳基、氰基、卤素、杂芳基、较低烷基、—C（═O）—OR5或—C（═O）—NY3Y；X1代表N、CH、C-卤素、C—CN、C—R7、C—NY3Y4、C—OH、C—Z2R7、C—C（═O）—OR5、C—C（═O）—NY3Y4、C—N(R8)—C（═O）—R7、C—SO2—NY3Y4、C—N(R8)—SO2—R7、C-烯基、C-炔基或C—NO2；以及它们的前药、这些化合物及其前药的药学上可接受的盐和溶剂，以及在一般式（I）范围内的新化合物。这些化合物和组合物具有有价值的药物特性，特别是抑制蛋白激酶的能力。
• NITROGEN-CONTAINING CYCLIC COMPOUND, COLOR CONVERSION FILM COMPRISING SAME, AND BACKLIGHT UNIT AND DISPLAY DEVICE COMPRISING SAME
  申请人：LG CHEM, LTD.

  公开号：US20190263836A1

  公开（公告）日：2019-08-29

  The present specification relates to a cyclic compound containing nitrogen, and a color conversion film, a backlight unit, and a display apparatus, including the same.

  本规范涉及含氮的环状化合物，以及包括该化合物的颜色转换膜、背光单元和显示装置。
• NITROGEN-CONTAINING CYCLIC COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME
  申请人：LG CHEM, LTD.

  公开号：US20200199158A1

  公开（公告）日：2020-06-25

  The present specification relates to a compound containing nitrogen, and a color conversion film, a backlight unit, and a display device, including the same.

  本规范涉及一种含氮化合物，以及包括该化合物的颜色转换膜、背光单元和显示装置。
• AMIDE DERIVATIVE AND USE THEREOF
  申请人：Ushio Hiroyuki

  公开号：US20130211075A1

  公开（公告）日：2013-08-15

  The present invention relates to a novel amide derivative. More specifically, the present invention provides a medicinal agent useful as a prophylactic or therapeutic agent for diseases, which relies on the production of cytokines from T cells, and which comprises an amide derivative or a pharmacologically acceptable salt thereof or a solvate of the derivative or the pharmacologically acceptable salt as an active ingredient. Provided is an amide derivative represented by general formula (I) [wherein each symbol is as defined in the description] or a pharmacologically acceptable salt thereof, or a solvate of the derivative or the pharmacologically acceptable salt.

  本发明涉及一种新型酰胺衍生物。更具体地说，本发明提供了一种药用剂，可用作依赖于T细胞产生细胞因子的疾病的预防或治疗剂，该药用剂包括酰胺衍生物或其药理学上可接受的盐或该衍生物或药理学上可接受的盐的溶剂的溶剂作为活性成分。提供的是由通式(I)所表示的酰胺衍生物[其中每个符号如描述中所定义]或其药理学上可接受的盐，或该衍生物或药理学上可接受的盐的溶剂。
• [EN] AZAINDOLES<br/>[FR] AZAINDOLES
  申请人：AVENTIS PHARMA LTD

  公开号：WO2003000688A1

  公开（公告）日：2003-01-03

  The invention is directed to physiologically active compounds of general formula (I): and compositions containing such compounds; and their prodrugs, and pharmaceutically acceptable salts and solvates of such compounds and their prodrugs, as well as to novel compounds within the scope of formula (I). Such compounds and compositions have valuable pharmaceutical properties, in particular the ability to inhibit kinases.

  该发明涉及具有通式（I）的生理活性化合物及含有这种化合物的组合物，以及这种化合物和它们的前药，以及这种化合物和它们的前药的药学上可接受的盐和溶剂化合物，以及在公式（I）范围内的新化合物。这些化合物和组合物具有有价值的药物特性，特别是抑制激酶的能力。