2-(2-chloro-6-methyl-phenyl)acetonitrile | 76574-40-8

• 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-chloro-6-methyl-phenyl)acetonitrile
• 英文别名: 2-chloro-6-methylphenylacetonitrile；2-(2-Chloro-6-methylphenyl)acetonitrile
• CAS: 76574-40-8
• 化学式: C₉H₈ClN
• mdl: MFCD00019828
• 分子量: 165.622
• InChiKey: QTJQWPCJVQWLHS-UHFFFAOYSA-N

物化性质

• 沸点：
  277.8±25.0 °C(Predicted)
• 密度：
  1.151±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 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：

  2-(2-chloro-6-methyl-phenyl)acetonitrile 在 水 、 sodium hydroxide 作用下， 反应 18.0h， 以7.20 g的产率得到2-(2-chloro-6-methyl-phenyl)acetic acid
  参考文献：
  名称：

  3,4-DIHYDROISOQUINOLIN-2(1H)-YL COMPOUNDS

  摘要：

  该发明提供了特定的3,4-二氢异喹啉-2(1H)-基化合物，特别是具有式I的化合物，以及这些化合物的药物组合物。该发明还提供了使用式I化合物治疗与帕金森病或精神分裂症相关的认知障碍的方法。

  公开号：

  US20140357664A1
• 作为产物：
  描述：

  2-氯-6-甲基苯甲醛 在 sodium tetrahydroborate 、 氯化亚砜 作用下， 以 甲醇 、 乙醇 、 水 、 苯 为溶剂， 生成 2-(2-chloro-6-methyl-phenyl)acetonitrile
  参考文献：
  名称：

  Antihypertensive activity of 6-arylpyrido[2,3-d]pyrimidin-7-amine derivatives

  摘要：

  A series of 51 6-arylpyrido[2,3-d]pyrimidin-7-amine derivatives was prepared and evaluated for antihypertensive activity in the conscious spontaneously hypertensive rat. A number of these compounds, notably 6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-amine (36), lowered blood pressure in these rats in a gradual and sustained manner to normotensive levels at oral doses of 10-50 mg/kg. Normalized blood pressure levels could then be maintained by single daily oral doses. The effect of structural variation in the 6-aryl group and in the 2 and 4 positions of the pyridopyrimidine ring on activity is reported and discussed.

  DOI：

  10.1021/jm00136a006

文献信息

• [EN] 3,4-DIHYDROISOQUINOLIN-2(1H)-YL COMPOUNDS<br/>[FR] COMPOSÉS DE 3,4-DIHYDROISOQUINOLÉIN-2(1H)-YLE
  申请人：LILLY CO ELI

  公开号：WO2014193781A1

  公开（公告）日：2014-12-04

  The invention provides certain 3,4-dihydroisoquinolin-2(1H)-yl compounds, particularly compounds of formula (I), and pharmaceutical compositions thereof. The invention further provides methods of using a compound of formula (I) to treat cognitive impairment associated with Parkinson's disease or schizophrenia.

  本发明提供了某些3,4-二氢异喹啉-2(1H)-基化合物，尤其是式(I)化合物及其制药组合物。本发明还提供了使用式(I)化合物治疗与帕金森病或精神分裂症相关的认知障碍的方法。
• 6-Substituted-arylpyrido[2,3-d]pyrimidin-7-amines and derivatives
  申请人：Warner-Lambert Company

  公开号：US04271164A1

  公开（公告）日：1981-06-02

  6-Substituted-arylpyrido[2,3-d]pyrimidin-7-amines and derivatives and their pharmaceutically acceptable acid addition salts are useful in the treatment of hypertension.

  6-取代基芳基吡啶[2,3-d]嘧啶-7-胺及其衍生物和其药学上可接受的酸加盐在高血压治疗中有用。
• Structure–activity relationships for 2-anilino-6-phenylpyrido[2,3-d]pyrimidin-7(8H)-ones as inhibitors of the cellular checkpoint kinase Wee1
  作者：Brian D. Palmer、Jeff B. Smaill、Gordon W. Rewcastle、Ellen M. Dobrusin、Alan Kraker、Charles W. Moore、Randall W. Steinkampf、William A. Denny

  DOI：10.1016/j.bmcl.2005.01.079

  日期：2005.4

  A series of 2-anilino-6-phenylpyrido[2,3-d]-alpyrimidin-7(8H)-ones were synthesized and evaluated for their inhibitory properties against the non-receptor kinase c-Src and the G2/M checkpoint kinase Weel. Overall, the compounds were 10-100-fold more potent inhibitors of c-Src than Weel, and variation of substituents on the 6-phenyl ring did not markedly alter this preference. Solubilizing substituents off the 2-anilino ring in many cases increased Wee I activity, thus lowering this preference to about 10-fold. 5-Alkyl substituted analogs were generally Weel selective, but at the expense of absolute potency. (c) 2005 Elsevier Ltd. All rights reserved.
• 6-Substituted-arylpyrido(2,3-d)pyrimidin-7-amines, derivatives and salts thereof, pharmaceutical compositions containing any of the foregoing, and processes for producing any of the foregoing
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0018151B1

  公开（公告）日：1984-01-25
• US4271164A
  申请人：——

  公开号：US4271164A

  公开（公告）日：1981-06-02