(1RS,2RS)-1-ethynyl-2-methylcyclopentanol | 16467-09-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1RS,2RS)-1-ethynyl-2-methylcyclopentanol
• 英文别名: 1-Ethynyl-2-methylcyclopentan-1-ol；1-cis-Aethinyl-2ref-methylcyclopentanol；(1S,2S)-1-ethynyl-2-methylcyclopentan-1-ol
• CAS: 16467-09-7；22865-09-4
• 化学式: C₈H₁₂O
• 分子量: 124.183
• InChiKey: PRIAXBJWHOFCKG-YUMQZZPRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (1RS,2RS)-1-ethynyl-2-methylcyclopentanol 在 钯 氢气 作用下， 生成 1-ethyl-t-2-methylcyclopentan-r-1-ol
  参考文献：
  名称：

  Carbocyclisation of ω-ethylenic propargylic zinc reagents

  摘要：

  Omega-ethylenic propargylic zinc reagents undergo cyclisation. Particularly efficient are the reagents derived from propargylic ethers.

  DOI：

  10.1016/s0040-4039(00)92374-8
• 作为产物：
  描述：

  Silane,dimethyl[[2-methyl-1-[(trimethylsilyl)ethynyl]cyclopentyl]oxy](1,1,2-trimethylpropyl)-, trans- 在 四丁基氟化铵 作用下， 生成 (1RS,2RS)-1-ethynyl-2-methylcyclopentanol
  参考文献：
  名称：

  Carbocyclisation of ω-ethylenic propargylic zinc reagents

  摘要：

  Omega-ethylenic propargylic zinc reagents undergo cyclisation. Particularly efficient are the reagents derived from propargylic ethers.

  DOI：

  10.1016/s0040-4039(00)92374-8

文献信息

• Ring expansions of 1-Haloethynyl-2-methylcyclopentanols
  作者：Xavier Herault、Edward Mc Nelis

  DOI：10.1016/0040-4020(96)00561-3

  日期：1996.7

  1-Haloethynyl-2-methylcyclopentanols treated with iodine and HTIB ring expand stereoselectively depending on the relative position of the methyl and the hydroxyl groups. The products are 2-(dihalomethylidene)-3-methylcyclohexanones if the methyls are cis to the hydroxyl groups or 2-(dihalomethylidene)-6-methylcyclohexanones if the methyls are trans to the hydroxyls.

  用碘和HTIB环处理的1-卤代乙炔基-2-甲基环戊醇根据甲基和羟基的相对位置而立体选择性地膨胀。该产品是2-（二卤代）-3- methylcyclohexanones如果甲基的是顺式的羟基基团或2-（二卤代）-6- methylcyclohexanones如果甲基的是反式的羟基。
• CDK2/4/6 inhibitors
  申请人：Pfizer Inc.

  公开号：US11396512B2

  公开（公告）日：2022-07-26

  This invention relates to compounds of general Formula (I) and pharmaceutically acceptable salts thereof, in which R1, R2, R2A, R2B, R3, R4, R5A, R5B, R6, R7, R8, R9, p, q and r are as defined herein, to pharmaceutical compositions comprising such compounds and salts, and to methods of using such compounds, salts and compositions for the treatment of abnormal cell growth, including cancer.

  本发明涉及通式 (I) 的化合物 及其药学上可接受的盐，其中 R1、R2、R2A、R2B、R3、R4、R5A、R5B、R6、R7、R8、R9、p、q 和 r 如本文所定义；包含此类化合物和盐的药物组合物；以及使用此类化合物、盐和组合物治疗异常细胞生长（包括癌症）的方法。
• Intramolecular Metallo-Ene-Allene Reactions. A New Carbocycles Synthesis
  作者：Christophe Meyer、Ilane Marek、Gilles Courtemanche、Jean-F. Normant

  DOI：10.1021/jo00109a017

  日期：1995.2

  Polysubstituted enynes have been lithiated on the propargylic position, and transmetalation to the corresponding zinc reagents promotes an easy cyclization reaction leading to polysubstituted cyclopentylmethylzinc derivatives. This cyclization is stereospecific, and a single diastereoisomer is formed, even when a tertiary and a quaternary center are linked in the process. The reaction is considered to take place via a metallo-ene-allene process.
• CDK2/4/6 Inhibitors
  申请人：Pfizer Inc.

  公开号：US20200392142A1

  公开（公告）日：2020-12-17

  This invention relates to compounds of general Formula (1) and pharmaceutically acceptable salts thereof, in which R 1 , R 2 , R 2A , R 2B , R 3 , R 4 , R 5A , R 5B , R 6 , R 7 , R 8 , R 9 , p, q and r are as defined herein, to pharmaceutical compositions comprising such compounds and salts, and to methods of using such compounds, salts and compositions for the treatment of abnormal cell growth, including cancer.