2-(2,6-difluorophenyl)-2-methylpropionitrile | 913719-87-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(2,6-difluorophenyl)-2-methylpropionitrile
• 英文别名: 2-(2,6-Difluorophenyl)-2-methylpropanenitrile
• CAS: 913719-87-6
• 化学式: C₁₀H₉F₂N
• mdl: MFCD11036555
• 分子量: 181.185
• InChiKey: ARTRTPWEXVPVJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2,6-difluorophenyl)-2-methylpropionitrile 在 sodium hydroxide 、 双氧水 、 四丁基硫酸氢铵 、 盐酸 作用下， 以 水 、 甲苯 为溶剂， 反应 22.0h， 生成 2-(2,6-difluorophenyl)isobutyramide
  参考文献：
  名称：

  Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles

  摘要：

  提供了制备氧吲哚和硫氧吲哚化合物的方法，这些化合物作为有用的药物化合物的前体。具体提供了制备5-吡咯-3,3-氧吲哚化合物和5-(7-氟-3,3-二甲基-2-氧代-2,3-二氢-1H-吲哚-5-基)-1-甲基-1H-吡咯-2-碳腈的方法。还提供了制备亚苄基苯并[b]噻吩和苯并[b]噻吩酮化合物的方法。

  公开号：

  US20060247441A1
• 作为产物：
  描述：

  2,6-二氟苯乙腈 、 碘甲烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 以5.48 g的产率得到2-(2,6-difluorophenyl)-2-methylpropionitrile
  参考文献：
  名称：

  [EN] HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER
  [FR] COMPOSÉS HÉTÉROAROMATIQUES POUR LE TRAITEMENT DU CANCER

  摘要：

  The present invention encompasses compounds of the formula (I), wherein R1, R2.a, R2.b, R3.a, R3.b, R4.a, R4.b, R5, R6, R7, R8, R9, R10, R11, R12, R13, R14, R15, R16, R17, R18, Rx, n and Q have the meanings given in the claims and specification, their use as inhibitors of mutant Ras family proteins, pharmaceutical compositions and preparations containing such compounds and their use as medicaments/medical uses, especially as agents for treatment and/or prevention of oncological diseases.

  公开号：

  WO2023117681A1

文献信息

• AMIDES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS
  申请人：Janssen Pharmaceutica NV

  公开号：EP1581476B1

  公开（公告）日：2016-11-16
• PROCESS FOR PREPARING 3,3-DISUBSTITUTED OXINDOLES AND THIO-OXINDOLES
  申请人：Wyeth

  公开号：EP1877377A2

  公开（公告）日：2008-01-16
• ADAMANTYL ACETAMIDES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS
  申请人：Linders Theodorus Maria Joannes

  公开号：US20080096869A1

  公开（公告）日：2008-04-24

  the N-oxide forms, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein n represents an integer being 1 or 2; R 1 and R 2 each independently represents hydrogen C 1-4 alkyl, NR 9 R 10 , C 1-4 alkyloxy; or R 1 and R 2 taken together with the carbon atom with which they are attached form a C 3-6 cycloalkyl; and where n is 2, either R 1 or R 2 may be absent to form an unsaturated bond; R 3 represents a C 6-12 cycloalkyl, preferably selected from cylo-octanyl and cyclohexyl or R 3 represents a monovalent radical having one of the following formulae wherein said C 6-12 cycloalkyl or monovalent radical may optionally be substituted with one, or where possible two, three or more substituents selected from the group consisting of C 1-4 alkyl, C 1-4 alkyloxy, halo or hydroxy; Q represents Het 1 or Ar 2 wherein said C 3-8 cycloalkyl, Het 1 or Ar 2 are optionally substituted with one or where possible two or more substituents selected from halo, C 1-4 alkyl, C 1-4 alkyloxy, hydroxy, nitro, NR 5 R 6 , C 1-4 alkyloxy substituted with one or where possible two, three or more substituents each independently selected from hydroxycarbonyl, Het 2 and NR 7 R 8 , and C 1-4 alkyl substituted with one or where possible two or three halo substituents, preferably trifluoromethyl; R 5 and R 6 each independently represent hydrogen, C 1-4 alkyl, or C 1-4 alkyl substituted with phenyl; R 7 and R 8 each independently represent hydrogen or C 1-4 alkyl; R 9 and R 10 each independently represent hydrogen, C 1-4 alkyl or C 1-4 alkyloxycarbonyl; L represents C 1-4 alkyl; Het 1 represents a heterocycle selected from pyridinyl, thiophenyl, or 1,3-benzodioxolyl; Het 2 represents piperidinyl, pyrrolidinyl or morpholinyl; Ar 2 represents phenyl, naphtyl or indenyl.
• US7332524B2
  申请人：——

  公开号：US7332524B2

  公开（公告）日：2008-02-19
• US7595338B2
  申请人：——

  公开号：US7595338B2

  公开（公告）日：2009-09-29