trifluoroacetate of 1-methylcyclohexane-1-ol | 775-75-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: trifluoroacetate of 1-methylcyclohexane-1-ol
• 英文别名: 1-methylcyclohexyl trifluoroacetate；Trifluoressigsaeure-1-methylcyclohexylester；1-Trifluoracetoxy-1-methyl-cyclohexan；1-Methylcyclohexyltrifluoracetat；Trifluoressigsaeure-<1-methyl-cyclohexylester>；Methyl-cyclohexyl-trifluoracetat；Acetic acid, trifluoro-, 1-methylcyclohexyl ester；(1-methylcyclohexyl) 2,2,2-trifluoroacetate
• CAS: 775-75-7
• 化学式: C₉H₁₃F₃O₂
• 分子量: 210.196
• InChiKey: XHWQUVQVTFUQSG-UHFFFAOYSA-N

物化性质

• 保留指数：
  928

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  trifluoroacetate of 1-methylcyclohexane-1-ol 在 二苯基硅烷 作用下， 反应 15.0h， 以84%的产率得到甲基环己烷
  参考文献：
  名称：

  通过三氟乙酸酯对叔醇进行自由基脱氧

  摘要：

  叔醇的三氟乙酸盐在（t BuO）2的存在下通过Ph 2 SiH 2进行脱氧，脱氧产物的收率极高，而不会影响β-碳的立体化学。

  DOI：

  10.1016/j.tetlet.2004.02.109
• 作为产物：
  描述：

  1-甲基环己醇 、 三氟乙酸酐 生成 trifluoroacetate of 1-methylcyclohexane-1-ol
  参考文献：
  名称：

  烯烃的水合焓。3. 环烯烃

  摘要：

  环戊烯、环己烯、甲基-1 环戊烯、亚甲基环戊烷、甲基-1 环己烯、亚甲基环己烷、双环 [2.2.1] 庚烯-2 和双环 [2.2.1] 己烯-2 三氟乙酸的反应焓

  DOI：

  10.1021/ja00307a030

文献信息

• Alkyl groups migration from tetra-alkyl-silanes, -germanes, and -stannanes to carbenium ions, effected by Lewis acids: a novel method for synthesising hydrocarbons with a quaternary carbon atom
  作者：Zinaida N. Parnes、Galina I. Bolestova、Irene S. Akhrem、Mark E. Vol'pin、Dmitry N. Kursanov

  DOI：10.1039/c39800000748

  日期：——

  Hydrocarbons with a quaternary carbon atom have been obtained by alkyl group transfer from group 4 tetra-alkyl derivatives to tertiary carbenium ions in the presence of Lewis acids.

  具有四级碳原子的烃是通过在路易斯酸存在下将烷基从第4族四烷基衍生物转移到叔碳鎓离子上而获得的。
• Histone methyltransferase inhibitors
  申请人：GLOBAL BLOOD THERAPEUTICS, INC.

  公开号：US11254651B2

  公开（公告）日：2022-02-22

  The present disclosure provides certain compounds that are histone methyltransferases G9a and/or GLP inhibitors and are therefore useful for the treatment of diseases treatable by inhibition of G9a and/or GLP such as cancers and hemoglobinpathies such as beta-thalassemia and sickle cell disease. Also provided are pharmaceutical compositions containing such compounds as well as processes and intermediates for preparing such compounds.

  本公开提供的某些化合物是组蛋白甲基转移酶 G9a 和/或 GLP 抑制剂，因此可用于治疗可通过抑制 G9a 和/或 GLP 治疗的疾病，如癌症和血红蛋白病，如β-地中海贫血和镰状细胞病。此外，还提供了含有此类化合物的药物组合物以及制备此类化合物的工艺和中间体。
• Hembrock, Annegret; Schaefer, Hans J.; Zimmermann, Gesine, Angewandte Chemie, 1985, vol. 97, # 12, p. 1048 - 1049
  作者：Hembrock, Annegret、Schaefer, Hans J.、Zimmermann, Gesine

  DOI：——

  日期：——
• New hydrogenating systems for ionic hydrogenation
  作者：G. I. Bolestova、F. M. Latypova、Z. N. Parnes、D. N. Kursanov

  DOI：10.1007/bf00955973

  日期：1982.6
• Influence of Remote Substituents on the Equatorial/Axial Selectivity in the Monooxygenation of Methylene C−H Bonds of Substituted Cyclohexanes
  作者：M. E. González-Núñez、Gloria Castellano、Cecilia Andreu、Jorge Royo、Minerva Báguena、Rossella Mello、Gregorio Asensio

  DOI：10.1021/ja003667u

  日期：2001.8.1

  The reactivity of individual C-H bonds in the methyl(trifluoromethyl)dioxirane TFDO oxygenation of stereogenic methylene groups in conformationally homogeneous monosubstituted cyclohexanes (2) has been determined. The unexpectedly high occurrence of O-atom insertion into C-H-ax bonds suggests an in plane trajectory attack in the oxygenation while the diastereoselectivity of the reaction is qualitatively interpreted on the basis of the distinct hyperconjugative stabilization by the substituent of diastereomeric transition states due to long-range through bond interactions.