3-(2-cyanoethyl)-4-chloroaniline | 90691-36-4

• 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: 3-(2-cyanoethyl)-4-chloroaniline
• 英文别名: 3-(5-amino-2-chlorophenyl)propanenitrile
• CAS: 90691-36-4
• 化学式: C₉H₉ClN₂
• 分子量: 180.637
• InChiKey: NVIUTTYSVKPXSB-UHFFFAOYSA-N

物化性质

• 沸点：
  379.6±27.0 °C(Predicted)
• 密度：
  1.234±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(2-cyanoethyl)-4-chloroaniline 、 3,4,5,6-四氢苯酐 以 二氯甲烷 、 水 、 溶剂黄146 为溶剂， 生成 N-[3-(2-Cyanoethyl)-4-chlorophenyl]-3,4,5,6-tetrahydrophthalimide
  参考文献：
  名称：

  Substituted phthalimides herbicides

  摘要：

  本发明涉及一种选择性除草剂，其化学式为：##STR1##其中，A为O或S，halo为氯、溴或氟；X'为--CH.sub.2 --，O或S；X为氢或卤素；R.sup.1和R.sup.2为氢或较低烷基中选择的相同或不同基团；Z可以是各种取代基和农业上可接受的盐、酯和酰胺，以及其他杂环苯。

  公开号：

  US04439229A1
• 作为产物：
  描述：

  2-Chloro-5-nitrocinnamylnitrile 生成 3-(2-cyanoethyl)-4-chloroaniline
  参考文献：
  名称：

  SWITHENBANK, C.

  摘要：

  DOI：

文献信息

• Novel heterocyclic substituted benzenes, herbicidal compositions containing them and the use thereof for combating weeds
  申请人：ROHM AND HAAS COMPANY

  公开号：EP0068822A2

  公开（公告）日：1983-01-05

  Compounds of the formula below are disclosed as selective herbicides: where W is a substituted heterocyclic selected from: wherein A is O or S: halo is chloro, bromo or fluoro; R1 and R2 are the same or different radicals seiectea from hydrogen or (C1-C4) alkyl; X is hydrogen or halo: X1 is methylene. O or S; Z is carboxy, alkoxyalkoxy, alkoxycarbonyl. alkoxycarbonylalkoxycarbonyl, alkoxyalkoxycarbonyl, acyloxy, acylalkoxy. cyanoalkoxy, alkylthioalkoxy, alkoxycarbonylalkoxy, alkoxycarbonylalkenyloxy, a 5- to 6-membered heterocyclic, formylalkoxy. haloalkoxy, mononuclear arylcarbonyalkoxy, oxiranylalkoxy, ammo. monoalkyl amino. dialkylamino, hydrazino, monoal- kythydrazino, dialkylhydrazino, acyiamino. alkoxyamino, alkoxycarbonylamino, mono- or dialkylcarbonylamino, N-alkyl-N-al- koxyalkylaminocarbonylamino, haloalkylcarbonylamino, N-alkylsulfonylaminocarbonyl, N-alkylsulfonylamino, monoalkenylamino, dialkenylamino, monoalkynylamino, dialkynylamino, N-alkyl-N-alkenylamino, or N-alkyl-N-alkynylamino: R is hydrogen or (C1-C4)alkyl and R3 ana R4 are the same or different and are selected from hydrogen. (C1-C4)-alkyl, (C3-C5)alkenyl or (C3-C5)alkynyl.

  下式化合物被公开为选择性除草剂： 式中 W 是选自下列化合物的取代杂环： 其中 A 是 O 或 S：卤素是氯、溴或氟；R1 和 R2 是由氢或（C1-C4）烷基分离出来的相同或不同的基；X 是氢或卤素：X1 是亚甲基。O或S；Z是羧基、烷氧基烷氧基、烷氧羰基、烷氧羰基烷氧羰基、烷氧烷氧羰基、酰氧基、酰基烷氧基、氰基烷氧基、烷硫基烷氧基、烷氧羰基烷氧基、烷氧羰基烯氧基、5-6元杂环、甲酰基烷氧基、卤代烷氧基、单核烷氧基。单烷基氨基、二烷基氨基、肼基、单醛基肼基、二烷基肼基、酰氨基、烷氧基氨基、烷氧基羰基烷氧基、烷氧基羰基烯氧基、5 至 6 元杂环、甲酰基烷氧基、卤代烷氧基、单核芳基羰基烷氧基、环氧乙烷烷氧基、酰胺。烷氧基氨基、烷氧基羰基氨基、单烷基或二烷基羰基氨基、N-烷基-N-烷氧基烷基氨基羰基氨基、卤代烷基羰基氨基、N-烷基磺酰基氨基羰基、N-烷基磺酰基氨基、单烯基氨基、二烯基氨基、单炔基氨基、二炔基氨基、N-烷基-N-烯基氨基或 N-烷基-N-炔基氨基：R是氢或(C1-C4)烷基，R3和R4相同或不同，选自氢。(C1-C4)-烷基、(C3-C5)烯基或(C3-C5)炔基。
• SWITHENBANK, C.
  作者：SWITHENBANK, C.

  DOI：——

  日期：——
• (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER
  申请人：Nexys Therapeutics, Inc.

  公开号：US20220054465A1

  公开（公告）日：2022-02-24

  The present invention relates to pharmaceutical compounds, compositions and methods, especially as they are related to compositions and methods for the treatment and/or prevention of a proliferation disorder associated with TGFβR1 activity, such as a cancer or fibrosis. The invention provides compounds of Formula (I) and Formula (II) as further described herein having an acidic moiety that enhances tissue specificity for targeted tissues and organs. The invention includes pharmaceutical compositions, pharmaceutical combinations, and methods of use of these compounds for treating conditions including cancer or fibrosis.
• US4439229A
  申请人：——

  公开号：US4439229A

  公开（公告）日：1984-03-27
• [EN] (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE (PYRIDIN-2-YL)AMINE UTILISÉS COMME INHIBITEURS DE TGF-BÊTA R1 (ALK5) POUR LE TRAITEMENT DU CANCER
  申请人：NEXYS THERAPEUTICS INC

  公开号：WO2020139636A1

  公开（公告）日：2020-07-02

  The present invention relates to pharmaceutical compounds, compositions and methods, especially as they are related to compositions and methods for the treatment and/or prevention of a proliferation disorder associated with ΤGFβR1 activity, such as a cancer or fibrosis. The invention provides compounds of Formula (I) and Formula (II) as further described herein having an acidic moiety that enhances tissue specificity for targeted tissues and organs. The invention includes pharmaceutical compositions, pharmaceutical combinations, and methods of use of these compounds for treating conditions including cancer or fibrosis.