(E)-3-(3,4-dichloro-phenyl)-acrylnitrile | 52807-90-6

• 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: (E)-3-(3,4-dichloro-phenyl)-acrylnitrile
• 英文别名: 3-(3,4-dichlorophenyl)acrylonitrile；trans-3,4-Dichlorocinnamonitrile；(E)-3-(3,4-dichlorophenyl)prop-2-enenitrile
• CAS: 52807-90-6
• 化学式: C₉H₅Cl₂N
• 分子量: 198.051
• InChiKey: GUFUTTLYPPNHPE-OWOJBTEDSA-N

物化性质

• 沸点：
  336.5±32.0 °C(Predicted)
• 密度：
  1.340±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (E)-3-(3,4-dichloro-phenyl)-acrylnitrile 、 N-(甲氧甲基)-N-(三甲基硅甲基)苄胺 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以73%的产率得到(3SR,4RS)-1-benzyl-4-(3,4-dichloro-phenyl)-pyrrolidine-3-carbonitrile
  参考文献：
  名称：

  PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS

  摘要：

  本发明涉及公式I的化合物，其中A、Ar、R、R2、R3、R4、p和o如规范和声明中定义的那样，或其药用活性盐。该化合物是高潜力的NK-3受体拮抗剂，用于治疗抑郁症、疼痛、精神病、帕金森病、精神分裂症、躁郁症、焦虑症和注意力缺陷多动障碍（ADHD）。

  公开号：

  US20100210659A1

文献信息

• Method of using 3-cyano-4-arylpyridine derivatives as modulators of androgen receptor function
  申请人：Nirschl A. Alexandra

  公开号：US20050182105A1

  公开（公告）日：2005-08-18

  A method is provided for treating androgen receptor-associated conditions such as age-related diseases, for example sarcopenia, employing a compound of the structure wherein R 1 is CN or H; X is O or S; R 2 is alkyl or substituted alkyl, cycloalkyl or substituted cycloalkyl, arylalkyl or substituted arylalkyl, aryl or substituted aryl, or heteroaryl or substituted heteroaryl; R 3 and R 4 are the same or different and are independently selected from H, C(O)R 2a , alkyl or substituted alkyl, cycloalkyl or substituted cycloalkyl, arylalkyl or substituted arylalkyl, aryl or substituted aryl, or heteroaryl or substituted heteroaryl; R 2a is alkyl or substituted alkyl, cycloalkyl or substituted cycloalkyl, arylalkyl or substituted arylalkyl, aryl or substituted aryl, or heteroaryl or substituted heteroaryl; G is aryl or heteroaryl, or aryl or heteroaryl substituted with one, two, three, four or five, where possible, of the substituents selected from the group consisting of hydrogen (H), halo, NO 2 , CN, OR 2b , OH, CF 3 , NR 3a R 4a ; wherein R 3a and R 4a , and R 2b are the same or different and are independently selected from alkyl or substituted alkyl, cycloalkyl or substituted cycloalkyl, arylalkyl or substituted arylalkyl, aryl or substituted aryl, or heteroaryl and substituted heteroaryl; or a pharmaceutically acceptable salt thereof and a prodrug ester thereof.

  提供一种治疗与雄激素受体相关疾病的方法，例如与年龄相关的疾病，如肌少症，使用具有以下结构的化合物，其中R1为CN或H；X为O或S；R2为烷基或取代烷基，环烷基或取代环烷基，芳基烷基或取代芳基烷基，芳基或取代芳基，或杂环芳基或取代杂环芳基；R3和R4相同或不同，并且独立选择自H，C(O)R2a，烷基或取代烷基，环烷基或取代环烷基，芳基烷基或取代芳基烷基，芳基或取代芳基，或杂环芳基或取代杂环芳基；R2a为烷基或取代烷基，环烷基或取代环烷基，芳基烷基或取代芳基烷基，芳基或取代芳基，或杂环芳基或取代杂环芳基；G为芳基或杂环芳基，或芳基或杂环芳基取代物，其中可能包括一个、两个、三个、四个或五个来自氢（H）、卤素、NO2、CN、OR2b、OH、CF3、NR3aR4a的取代基的取代基；其中R3a和R4a，以及R2b相同或不同，并且独立选择自烷基或取代烷基，环烷基或取代环烷基，芳基烷基或取代芳基烷基，芳基或取代芳基，或杂环芳基和取代杂环芳基；或其药学上可接受的盐和前药酯。
• Secondary and tertiary-2-phenylbicyclo[2,2,2]oct-3-yl alkylamines and
  申请人：Lilly Industries, Ltd.

  公开号：US03980785A1

  公开（公告）日：1976-09-14

  Secondary and tertiary 2-phenylbicyclo[2,2,2]oct-3-yl alkyl amines are useful as anti-depressant and anti-Parkinsonism agents. They may be prepared from the corresponding aldehydes, nitriles, amides, isocyanates or esters using known chemical techniques.

  二级和三级2-苯基双环[2,2,2]辛-3-基烷基胺可用作抗抑郁和抗帕金森病药物。它们可以使用已知的化学技术从相应的醛，腈，酰胺，异氰酸酯或酯制备。
• Pyrrolidine derivatives as NK3 receptor antagonists
  申请人：Hoffmann-La Roche Inc.

  公开号：US08318759B2

  公开（公告）日：2012-11-27

  The present invention relates to a compounds of formula I wherein A, Ar, R, R2, R3, R4, p, and o are as defined in the specification and claims or to a pharmaceutically active salt thereof. The present compounds are high potential NK-3 receptor antagonists for the treatment of depression, pain, psychosis, Parkinson's disease, schizophrenia, bipolar disorders, anxiety and attention deficit hyperactivity disorder (ADHD).

  本发明涉及式I的化合物，其中A、Ar、R、R2、R3、R4、p和o如规范和权利要求中所定义的，或其药物活性盐。本发明的化合物是高潜力的NK-3受体拮抗剂，用于治疗抑郁症、疼痛、精神病、帕金森病、精神分裂症、双相情感障碍、焦虑和注意力缺陷多动障碍（ADHD）。
• Heterocyclic substituted-amino-pyrazolines
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0070376A1

  公开（公告）日：1983-01-26

  Novel 3-amino and 3-substituted amino-1-substituted-2-pyrazolines and compositions of matter useful for meliorating the inflammation and/or the progressive joint deterioration characteristic of arthritic disease, preventing the onset of asthmatic symptoms and allergic diseases, or as analgesic, antibacterial or antifungal agents.

  新颖的 3-氨基和 3-取代氨基-1-取代-2-吡唑啉类化合物和物质组合物，可用于改善关节炎疾病特有的炎症和/或进行性关节退化，预防哮喘症状和过敏性疾病的发生，或用作镇痛剂、抗菌剂或抗真菌剂。
• NAGARAJAN, K.;SHENOY, S. J.;SEN, H. G.;DEB, B. N., INDIAN J. PHARM. SCI., 48,(1986) N 5, 125-132
  作者：NAGARAJAN, K.、SHENOY, S. J.、SEN, H. G.、DEB, B. N.

  DOI：——

  日期：——