(1R,3S)-3-benzoyl-cyclohexanecarboxylic acid | 760976-21-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R,3S)-3-benzoyl-cyclohexanecarboxylic acid
• 英文别名: cis-3-Benzoylcyclohexane-1-carboxylicacid；(1R,3S)-3-benzoylcyclohexane-1-carboxylic acid
• CAS: 760976-21-4
• 化学式: C₁₄H₁₆O₃
• 分子量: 232.279
• InChiKey: LCOMXIQTOGETME-NWDGAFQWSA-N

物化性质

• 沸点：
  406.4±38.0 °C(Predicted)
• 密度：
  1.186±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1R,3S)-3-benzoyl-cyclohexanecarboxylic acid 、 三甲基硅烷化重氮甲烷 以 甲醇 、 乙醚 、 苯 为溶剂， 生成 methyl (1R,3S)-3-benzoyl-cyclohexanecarboxylate
  参考文献：
  名称：

  Ligand differentiated complementary Rh-catalyst systems for the enantioselective desymmetrization of meso-cyclic anhydrides

  摘要：

  Two distinct systems for the rhodium-catalyzed enantioselective desymmetrization of meso-cyclic anhydrides have been developed. Each system has been optimized and are compatible with the use of in situ prepared organozinc reagents. Rhodium/PHOX species efficiently catalyze the addition of alkyi nucleophiles to glutaric anhydrides, while system is effective in the enantioselective arylation of succinic and glutaric anhydrides. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.10.075
• 作为产物：
  描述：

  3-oxabicyclo<3.3.1>nonane-2,4-dione 、 苯基氯化镁 在 鹰爪豆碱 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 (1S,3R)-3-benzoyl-cyclohexanecarboxylic acid 、 (1R,3S)-3-benzoyl-cyclohexanecarboxylic acid
  参考文献：
  名称：

  碳亲核试剂对酸酐的高度对映选择性脱对称：格利雅试剂在（-）-天冬氨酸存在下的反应。

  摘要：

  DOI：

  10.1002/1521-3773(20020315)41:6<1057::aid-anie1057>3.0.co;2-h

文献信息

• Diaminoalkane Aspartic Protease Inhibitors
  申请人：Baldwin John J.

  公开号：US20090018103A1

  公开（公告）日：2009-01-15

  Diaminoalkanes of Formula I have now been found which are orally active and bind to aspartic proteases to inhibit their activity. They are useful in the treatment or amelioration of diseases associated with elevated levels of aspartic protease activity. The invention also relates to a method for the use of the compounds of Formula I in ameliorating or treating aspartic protease related disorders in a subject in need thereof comprising administering to said subject an effective amount of a compound of Formula I.

  公式I的Diaminoalkanes现已被发现，它们具有口服活性并结合到天冬氨酸蛋白酶以抑制其活性。它们在治疗或改善与天冬氨酸蛋白酶活性升高相关的疾病方面非常有用。本发明还涉及使用公式I化合物治疗或改善需要的天冬氨酸蛋白酶相关疾病的方法，包括向该受体施用公式I化合物的有效量。
• Diaminoalkane aspartic protease inhibitors
  申请人：Baldwin John J.

  公开号：US20110105506A1

  公开（公告）日：2011-05-05

  Diaminoalkanes of Formula I have now been found which are orally active and bind to aspartic proteases to inhibit their activity. They are useful in the treatment or amelioration of diseases associated with elevated levels of aspartic protease activity. The invention also relates to a method for the use of the compounds of Formula I in ameliorating or treating aspartic protease related disorders in a subject in need thereof comprising administering to said subject an effective amount of a compound of Formula I.

  公式I的二氨基烷已被发现具有口服活性并能结合天冬氨酸蛋白酶以抑制其活性。它们可用于治疗或改善与天冬氨酸蛋白酶活性升高相关的疾病。本发明还涉及一种使用公式I化合物改善或治疗需要的天冬氨酸蛋白酶相关疾病的方法，包括向该受试者施用有效量的公式I化合物。
• Evaluation of (+)-Sparteine-like Diamines for Asymmetric Synthesis
  作者：Michael J. Dearden、Matthew J. McGrath、Peter O'Brien

  DOI：10.1021/jo049182w

  日期：2004.8.1

  Three new (+)-sparteine-like diamines were prepared from (-)-cytisine and evaluated as sparteine surrogates in the alpha-lithiation rearrangement of cyclooctene oxide and the palladium(II)/diamine catalyzed oxidative kinetic resolution of I-indanol. The new diamines exhibited opposite enantioselectivity to that observed with (-)-sparteine but increasing the steric hindrance of the N-alkyl group beyond N-Et had a detrimental effect on enantioselectivity. The optimal N-Me diamine was evaluated with much success in five other (-)-sparteine-mediated processes involving different metals (lithium, magnesium, and copper) and different types of reaction mechanisms.
• US7754737B2
  申请人：——

  公开号：US7754737B2

  公开（公告）日：2010-07-13
• US8455521B2
  申请人：——

  公开号：US8455521B2

  公开（公告）日：2013-06-04