3-Chlor-2-cyano-4-methyl-2-pentennitril | 40797-97-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: 3-Chlor-2-cyano-4-methyl-2-pentennitril
• 英文别名: (1-chloro-2-methylpropylidene)methane-1,1-dicarbonitrile；2-(1-chloro-2-methylpropylidene)propanedinitrile
• CAS: 40797-97-5
• 化学式: C₇H₇ClN₂
• 分子量: 154.599
• InChiKey: BISBJAKHNKLYHE-UHFFFAOYSA-N

物化性质

• 沸点：
  236.4±20.0 °C(Predicted)
• 密度：
  1.138±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Chlor-2-cyano-4-methyl-2-pentennitril 在 吡啶 、 ammonium hydroxide 、 硫化氢 、 三乙胺 作用下， 反应 1.5h， 生成 3-Amino-2-cyano-4-methyl-2-pententhiocarboxamid
  参考文献：
  名称：

  EP3816164

  摘要：

  公开号：
• 作为产物：
  描述：

  2-isobutyrylmalononitrile 在 五氯化磷 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以75%的产率得到3-Chlor-2-cyano-4-methyl-2-pentennitril
  参考文献：
  名称：

  Herbicidal Compounds

  摘要：

  这项发明涉及式(I)的吡咯烷化合物，其中X、Rb、Rc、R1、R2和R3如规范中所定义。此外，本发明涉及制备式(I)化合物的过程和中间体，包括这些化合物的除草剂组合物，以及利用这些化合物控制植物生长的方法。

  公开号：

  US20160066574A1

文献信息

• Inhibitors of cyclin-dependent kinases, compositions and uses related thereto
  申请人：GPC Biotech, Inc.

  公开号：US20040266854A1

  公开（公告）日：2004-12-30

  The invention pertains to novel cyclin dependent kinase inhibitors (cdks) and specifically, but not exclusively, as inhibitors of cdk/cyclin complexes. As described herein, the inhibitors of this invention are capable of inhibiting the cell-cycle machinery and consequently may be useful in modulating cell-cycle progression, ultimately controlling cell growth and differentiation. Such compounds would be useful for treating subjects having disorders associated with excessive cell proliferation.

  这项发明涉及新型细胞周期依赖性激酶抑制剂（cdks），具体而言，但不仅限于作为cdk/cyclin复合物的抑制剂。如本文所述，本发明的抑制剂能够抑制细胞周期机制，因此可能有助于调节细胞周期进程，最终控制细胞生长和分化。这样的化合物对于治疗患有与过度细胞增殖相关的疾病的患者将会很有用。
• N,N-dialkyl-N'-(substituted-5-isothioazolyl)-N'-acylureas as herbicides
  申请人：FMC Corporation

  公开号：US04032321A1

  公开（公告）日：1977-06-28

  A new class of herbicidal compounds consisting of N,N-dialkyl-N'-(substituted-5-isothiazolyl)-N'-acylureas in which the 3-substitutent on the isothioazole moiety consists of alkyl, alkoxy, alkylthio, alkylsulfinyl, alkylsulfonyl, alkylamino, and dialkylamino, and the 4-substituent on the isothiazole moiety consists of cyano, alkoxycarbonyl, and nitro; and in which the nitrogen atom of the N,N-dialkylurea to which the isothiazolyl moiety is bonded, is also bonded to an acyl moiety, exhibits outstanding preemergence and postemergence herbicidal activity, controlling effectively the growth of a wide spectrum of grassy and broad-leaved plant species. The synthesis of members of this class is described in detail and the utility of representative compounds is exemplified.

  一种新的除草化合物类，包括N,N-二烷基-N'-(取代-5-异噻唑基)-N'-酰基脲，其中异噻唑基上的3-取代基包括烷基、烷氧基、烷硫基、烷基亚砜基、烷基磺酰基、烷基氨基和二烷基氨基，异噻唑基上的4-取代基包括氰基、烷氧羰基和硝基；并且N,N-二烷基脲的氮原子与异噻唑基结合，同时也与酰基结合，表现出优异的前出和后出除草活性，有效控制广泛范围的草本和阔叶植物的生长。详细描述了该类成员的合成方法，并且举例说明了代表性化合物的用途。
• Isothiazolylformamidine derivatives as herbicides
  申请人：——

  公开号：US04032322A1

  公开（公告）日：1977-06-28

  A new class of herbicidal compounds consisting of N'-(substituted-5-isothiazolyl)-N,N-dimethylformamidines in which the 3-substituent on the isothiazole moiety consists of alkyl, alkoxy, alkylthio, alkylsulfinyl, alkylsulfonyl, alkylamino and dialkylamino, and the 4-substituent on the isothiazole moiety consists of cyano, carbamoyl, and nitro, and in which the hydrogen of the dimethylformamidine moiety may be substituted by fluorine, chlorine, bromine, or carbonitrile, exhibits preemergence and postemergence herbicidal activity, controlling effectively the growth of a wide spectrum of grassy and broad-leaved plant species. The synthesis of members of this class is described in detail, and the utility of representative compounds is exemplified.

  一种新的除草化合物类别，由N'-(取代的5-异噻唑基)-N,N-二甲基甲酰胺组成，其中异噻唑基上的3-取代基包括烷基，烷氧基，烷硫基，烷基磺酰基，烷基亚磺酰基，烷基氨基和双烷基氨基，而异噻唑基上的4-取代基包括氰基，氨基甲酰基和硝基，而二甲基甲酰胺基团上的氢原子可能被氟，氯，溴或氰取代，表现出萌芽前和萌芽后的除草活性，有效控制了广泛范围的草本和阔叶植物物种的生长。详细介绍了该类成员的合成，并举例说明了代表性化合物的实用性。
• Pyrazolopyrimidinone kinase inhibitor
  申请人：Agennix AG

  公开号：US08304418B2

  公开（公告）日：2012-11-06

  The present invention provides a novel pyrazolo[3,4-d]pyrimidin-4-one, specifically a derivative of 1-(pyridine-4-yl)-pyrazolo[3,4-d]pyrimidin-4-one. This compound is a kinase inhibitor that shows unexpected anti-proliferative activity against cells, including against tumor cells, and anti-tumor activity in xenograft tumor models. The compound or a suitable salt or prodrug thereof is useful for the treatment of individuals suffering from a cancer or another proliferative disorder or disease.

  本发明提供了一种新型吡唑并[3,4-d]嘧啶-4-酮化合物，具体为1-(吡啶-4-基)-吡唑并[3,4-d]嘧啶-4-酮衍生物。该化合物是一种激酶抑制剂，对细胞（包括肿瘤细胞）表现出出乎意料的抗增殖活性，并在异种移植肿瘤模型中表现出抗肿瘤活性。该化合物或其适当的盐或前药对于治疗患有癌症或其他增殖性疾病的个体是有用的。
• PYRAZOLOPYRIMIDINONE KINASE INHIBITOR
  申请人：Kluge Arthur F.

  公开号：US20100160350A1

  公开（公告）日：2010-06-24

  The present invention provides a novel pyrazolo[3,4-d]pyrimidin-4-one, specifically a derivative of 1-(pyridine-4-yl)-pyrazolo[3,4-d]pyrimidin-4-one. This compound is a kinase inhibitor that shows unexpected anti-proliferative activity against cells, including against tumor cells, and anti-tumor activity in xenograft tumor models. The compound or a suitable salt or prodrug thereof is useful for the treatment of individuals suffering from a cancer or another proliferative disorder or disease.

  本发明提供了一种新型的吡唑并[3,4-d]嘧啶-4-酮，具体是1-(吡啶-4-基)-吡唑并[3,4-d]嘧啶-4-酮的衍生物。该化合物是一种激酶抑制剂，对细胞，包括肿瘤细胞表现出意外的抗增殖活性，并在异种移植瘤模型中表现出抗肿瘤活性。该化合物或其适当的盐或前药对于治疗患有癌症或其他增生性疾病的个体是有用的。