cis-4-methyl-cyclohexane-carboxylic acid-(1)-methyl ester | 41076-10-2

• 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: cis-4-methyl-cyclohexane-carboxylic acid-(1)-methyl ester
• 英文别名: cis-4-methyl-cyclohexane-carboxylic acid-(1)-methyl ester；cis-4-Methyl-cyclohexan-carbonsaeure-(1)-methylester；cis-4-Methyl-cyclohexancarbonsaeure-methylester；4-methyl-cyclohexanecarboxylic acid methyl ester；cis-4-Methyl-cyclohexancarbonsaeure-methylester；cis-4-Methylcarbomethoxycyclohexan
• CAS: 41076-10-2
• 化学式: C₉H₁₆O₂
• 分子量: 156.225
• InChiKey: QJMSVBUMBNELCF-OCAPTIKFSA-N

物化性质

• 沸点：
  78-79 °C(Press: 13 Torr)
• 密度：
  0.952±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.99
• 重原子数：
  11.0
• 可旋转键数：
  1.0
• 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：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  methyl 4-methylcyclohexanecarboxylate 生成 cis-4-methyl-cyclohexane-carboxylic acid-(1)-methyl ester
  参考文献：
  名称：

  Separation of by enzymatic hydrolysis: Preference for diequatorial isomers

  摘要：

  4-Substituted cis/trans-cyclohexanecarboxylates have been separated into the isomers by enzymatic hydrolysis with lipase from Candida rugosa with very good selectivity. The enzyme preferentially recognizes diequatorial conformations. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0040-4039(96)02120-x

文献信息

• [EN] SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS<br/>[FR] UREE ET CARBAMATE SUBSTITUES, PHENACYL-2-HYDROXY-3-DIAMINOALCANE, ET BENZAMIDE-2-HYDROXY-3-DIAMINOALCANE INHIBITEURS D'ASPARTYL-PROTEASE
  申请人：ELAN PHARM INC

  公开号：WO2005087215A1

  公开（公告）日：2005-09-22

  The invention relates to acetyl 2-hydroxy-1,3-diaminospirocyclohexanes and derivatives thereof that are useful in treating at least one disease, disorder, and condition associated with amyloidosis. Amyloidosis refers to a collection of diseases, disorders, and condition associated with abnormal deposition of A-beta protein.

  这项发明涉及乙酰2-羟基-1,3-二氨基螺环己烷及其衍生物，可用于治疗与淀粉样变性相关的至少一种疾病、紊乱和病况。淀粉样变性指与A-beta蛋白异常沉积相关的一系列疾病、紊乱和病况。
• METHODS FOR FORMING SATURATED (HETERO)CYCLIC BORYLATED HYDROCARBONS AND RELATED COMPOUNDS
  申请人：BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY

  公开号：US20180051042A1

  公开（公告）日：2018-02-22

  The disclosure relates to methods for forming at least partially saturated cyclic and heterocyclic borylated hydrocarbons, as well as related compounds, which can be precursor compounds in the synthesis of any of a variety of pharmaceutical or medicinal compounds with a desired structure and/or stereochemistry for drug synthesis or drug candidate evaluation. The methods generally include reduction of an unsaturated cyclic or heterocyclic borylated hydrocarbon having a boron-containing substituent at an sp 2 -carbon, where such reduction converts the sp 2 -carbon to an sp 3 -carbon at the point of attachment of the boron-containing substituent. The methods can exhibit a selectivity for syn-addition during reduction, which can provide stereospecific products, such as when the unsaturated cyclic or heterocyclic reactant is multiply substituted with boron groups and/or other functional groups.

  本发明涉及用于形成至少部分饱和的环状和杂环硼化烃的方法，以及相关的化合物，这些化合物可以是合成多种具有所需结构和/或立体化学的药物或药用化合物的前体化合物。这些方法通常包括将具有sp2碳上含硼取代基的不饱和环状或杂环硼化烃还原，这样的还原将sp2碳转化为与含硼取代基连接点上的sp3碳。这些方法在还原过程中可表现出对顺式加成的选择性，从而可以提供立体特异性产物，例如当不饱和环状或杂环反应物上多元取代硼基团和/或其他功能基团时。
• Stereochemical control by carboxylate groups in homogeneous hydrogenation
  作者：John M. Brown、Stephen A. Hall

  DOI：10.1016/0022-328x(85)87378-2

  日期：1985.4

  The stereochemistry of hydrogenation of a range of unsaturated cyclohexanecarboxylic acids and their esters has been investigated, employing either bis(1,4-diphenylphosphino)butanerhodium or pyridine(tricyclohexylphosphine)iridium based cationic catalysts in CH2Cl2. For methyl 3-methylcyclohex-2-enecarboxylate, highly selective reduction to the trans-product was achieved in both cases, whereas the

  已经研究了一系列不饱和环己烷羧酸及其酯的氢化立体化学，采用基于CH 2 Cl 2的双（1,4-二苯基膦基）丁铵或吡啶（三环己基膦基）铱基阳离子催化剂。对于3-甲基环己-2-烯甲酸甲酯，在两种情况下都实现了对反式产物的高度选择性还原，而异构体3-亚甲基环己烷甲酸甲酯给出了相当数量的顺式异构体。在相当慢的反应中，在还原4-甲基环己-3-烯丙基羧酸甲酯方面也获得了反式异构体的优势。D 2的还原 揭示了在氢化过程中发生了烯烃双键的相当大的异构化。
• BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE
  申请人：Boezio Christiane M.

  公开号：US20130217668A1

  公开（公告）日：2013-08-22

  Compounds of Formula (I) are useful inhibitors of anaplastic lymphoma kinase. Compounds of Formula (I) have the following structure: where the definitions of the variables are provided herein.

  公式（I）的化合物是阿纳普拉斯腺瘤激酶的有用抑制剂。公式（I）的化合物具有以下结构：其中变量的定义在此提供。
• Directing effects in homogeneous hydrogenation with [Ir(cod)(PCy3)(py)]PF6
  作者：Robert H. Crabtree、Mark W. Davis

  DOI：10.1021/jo00364a007

  日期：1986.7