2-(1-Methylethyl)cyclopropane carbonitrile | 141810-14-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-(1-Methylethyl)cyclopropane carbonitrile
• 英文别名: 2-Propan-2-ylcyclopropane-1-carbonitrile
• CAS: 141810-14-2；141810-18-6
• 化学式: C₇H₁₁N
• 分子量: 109.171
• InChiKey: BHKWBOSVLCLBQT-UHFFFAOYSA-N

物化性质

• 沸点：
  172.4±9.0 °C(Predicted)
• 密度：
  0.90±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-甲基-1-丁烯 、 alkaline earth salt of/the/ methylsulfuric acid 在 偶氮二异丁腈 、 sodium amide 作用下， 以 四氢呋喃 为溶剂， 反应 58.0h， 生成 2-(1-Methylethyl)cyclopropane carbonitrile
  参考文献：
  名称：

  Conversion of trifluoromethyl groups into nitrile functions during cyclization of hexafluoroiodoalkanes with sodium amide

  摘要：

  The cyclization of (CF3)2CHCH2CIR1CHR2R3 (1) (1a: R1 = Me, R2 = R3 = H; 1b: R1 = H, R2 = R3 = Me; 1c: R1 = R2 = H, R3 = Bu) with sodium amide occurs with conversion of trifluoromethyl groups to cyano functions or with their replacement by hydrogen atoms.

  DOI：

  10.1016/s0022-1139(00)82353-2

文献信息

• TYK2 PSEUDOKINASE LIGANDS
  申请人：Ventyx Biosciences, Inc.

  公开号：US20210139486A1

  公开（公告）日：2021-05-13

  Described herein are TYK2 pseudokinase ligands and methods of utilizing TYK2 pseudokinase ligands in the treatment of diseases, disorders or conditions. Also described herein are pharmaceutical compositions containing such compounds.

  本文描述了TYK2伪激酶配体以及利用TYK2伪激酶配体在治疗疾病、疾病或状况中的方法。本文还描述了含有这些化合物的药物组合物。
• Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US10273237B2

  公开（公告）日：2019-04-30

  Compounds having the following formula (I), or a stereoisomer or pharmaceutically-acceptable salt thereof, where R1, R2, R3, R4, and R5 are as defined herein, are useful in the modulation of IL-12, IL-23 and/or IFNα, by acting on Tyk-2 to cause signal transduction inhibition.

  具有下式（I）的化合物或其立体异构体或药学上可接受的盐，其中 R1、R2、R3、R4 和 R5 如本文所定义，通过作用于 Tyk-2，导致信号转导抑制，可用于调节 IL-12、IL-23 和/或 IFNα。
• IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA RESPONSES
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20160304524A1

  公开（公告）日：2016-10-20

  Compounds having the following formula (I), or a stereoisomer or pharmaceutically-acceptable salt thereof, where R 1 , R 2 , R 3 , R 4 , and R 5 are as defined herein, are useful in the modulation of IL-12, IL-23 and/or IFNα, by acting on Tyk-2 to cause signal transduction inhibition.
• US7247725B2
  申请人：——

  公开号：US7247725B2

  公开（公告）日：2007-07-24
• Conversion of trifluoromethyl groups into nitrile functions during cyclization of hexafluoroiodoalkanes with sodium amide
  作者：M. Hanack、J. Ullmann

  DOI：10.1016/s0022-1139(00)82353-2

  日期：1991.12

  The cyclization of (CF3)2CHCH2CIR1CHR2R3 (1) (1a: R1 = Me, R2 = R3 = H; 1b: R1 = H, R2 = R3 = Me; 1c: R1 = R2 = H, R3 = Bu) with sodium amide occurs with conversion of trifluoromethyl groups to cyano functions or with their replacement by hydrogen atoms.