3-methyl-1-adamantyl trifluoroactate | 127526-24-3

• 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: 3-methyl-1-adamantyl trifluoroactate
• 英文别名: (3-Methyl-1-adamantyl) 2,2,2-trifluoroacetate
• CAS: 127526-24-3
• 化学式: C₁₃H₁₇F₃O₂
• 分子量: 262.272
• InChiKey: NCFQPEQMOVVFAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3,7-dimethylenebicyclo[3.3.1]nonane 、 三氟乙酸吡啶 以67.8%的产率得到3-methyl-1-adamantyl trifluoroactate
  参考文献：
  名称：

  Soloshonok, V. A.; Khotkevich, A. B.; Serguchev, Yu. A., Journal of Organic Chemistry USSR (English Translation), 1989, vol. 25, # 10.2, p. 2025 - 2026

  摘要：

  DOI：

文献信息

• Efficient Oxidation of Adamantanes by Sodium Nitrite with Molecular Oxygen in Trifluoroacetic Acid
  作者：Yoshihiro Matsumura、Osamu Onomura、Yutaka Yamamoto、Noriaki Moriyama、Fumiaki Iwasaki

  DOI：10.1055/s-2006-950422

  日期：2006.9

  Oxidation of adamantanes by oxygen was effectively achieved by use of sodium nitrite as a catalyst in trifluoroacetic acid (TFA) to give 1-adamantyl trifluoroacetates, from which adamantanols were obtained in good yields. A catalytic amount of sodium nitrite was essential and TFA was the best solvent among solvents examined for this oxidation.

  使用亚硝酸钠作为催化剂，在三氟乙酸（TFA）中有效地实现了氧气对金刚烷的氧化，生成了 1-金刚烷基三氟乙酸盐，并从中以良好的收率获得了金刚烷醇。亚硝酸钠的催化量是必不可少的，而反式脂肪酸是进行这种氧化反应的最佳溶剂。
• SOLOSHONOK, V. A.;XOTKEVICH, A. B.;SERGUCHEV, YU. A., ZH. ORGAN. XIMII, 25,(1989) N0, S. 2242-2243
  作者：SOLOSHONOK, V. A.、XOTKEVICH, A. B.、SERGUCHEV, YU. A.

  DOI：——

  日期：——
• THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF
  申请人：GENENTECH, INC.

  公开号：US20190031607A1

  公开（公告）日：2019-01-31

  The invention provides compounds having the general Formula (I); and pharmaceutically acceptable salts thereof; wherein the variables R A , R AA , subscript n, subscript q, ring A, X 2 , L, subscript m, X 1 , R 1 , R 2 , R 3 , R 4 , R 5 , D and E have the meaning as described herein, and compositions containing such compounds and methods for using such compounds and compositions.