4,5-二甲基-己酸 | 30656-60-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 4,5-二甲基-己酸
• 英文名称: (R)-4,5-dimethyl-hexanoic acid
• 英文别名: (+)4,5-Dimethylhexansaeure；(4R)-4,5-dimethylhexanoic acid
• CAS: 30656-60-1；30656-61-2；30656-64-5；60308-81-8
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: HHGZJCMMPUJXIF-SSDOTTSWSA-N

物化性质

• 沸点：
  92 °C(Press: 1 Torr)
• 密度：
  0.912 g/cm3(Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,5-二甲基-己酸 在 palladium on activated charcoal 氢气 、 溴 、 mercury(II) oxide 作用下， 生成 campesteryl acetate
  参考文献：
  名称：

  乙酸菜油酯 ((24R)-24-methyl-3β-acetoxycholesten-5-ene) 及其 24S-差向异构体的合成

  摘要：

  摘要 以光学活性的 3,4-二甲基戊基溴化镁和孕烯醇酮乙酸酯为原料，合成了乙酸菜油酯及其 24 S 差向异构体。两种差向异构体对黄斑皮螨幼虫的利用不同。

  DOI：

  10.1016/s0039-128x(70)80133-7
• 作为产物：
  描述：

  butanoic acid, 2,3-dimethyl-, methyl ester 在 lithium aluminium tetrahydride 、 四溴化碳 、 sodium ethanolate 、 三苯基膦 作用下， 以 乙醚 为溶剂， 生成 4,5-二甲基-己酸
  参考文献：
  名称：

  乙酸菜油酯 ((24R)-24-methyl-3β-acetoxycholesten-5-ene) 及其 24S-差向异构体的合成

  摘要：

  摘要 以光学活性的 3,4-二甲基戊基溴化镁和孕烯醇酮乙酸酯为原料，合成了乙酸菜油酯及其 24 S 差向异构体。两种差向异构体对黄斑皮螨幼虫的利用不同。

  DOI：

  10.1016/s0039-128x(70)80133-7

文献信息

• Optically active alcohol and process for the production thereof
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：EP0893422A1

  公开（公告）日：1999-01-27

  An R-configuration or S-configuration optically active alcohol of the general formula (1),         CH3C*H(OH)(CH2)mCH(CnH2n+1)2     (1) wherein C* is an asymmetric carbon atom, m is an integer of 0 to 3, and n is an integer of 1 to 3; and a process for the production thereof, which comprises asymmetrically trans-esterifying a corresponding racemic alcohol to conduct the optical resolution. This is preferably carried out in the presence of a lipase extracted from Candida antarcia as catalyst.

  一个具有一般式（1）的R构型或S构型的光学活性醇，其中C*是一个不对称碳原子，m是0到3的整数，n是1到3的整数；以及一种生产该醇的方法，包括将相应的消旋醇进行不对称的酯化反应以进行光学分辨。最好在从南极白假丝酵母中提取的脂肪酶存在下进行。
• METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID
  申请人：Moriarty Robert M.

  公开号：US20130137884A1

  公开（公告）日：2013-05-30

  Synthetic methods for preparing deoxycholic acid and intermediates thereof, high purity synthetic deoxycholic acid, compositions and methods of use are provided. Also, provided are processes for the synthesis of 12-keto or 12-α-hydroxy-steroids from Δ-9,11-ene, 11-keto or 11-hydroxy-β-steroids. This invention is also directed to novel compounds prepared during the synthesis. This invention is also directed to the synthesis of deoxycholic acid starting from hydrocortisone.

  提供了用于制备去氧胆酸及其中间体的合成方法，高纯度合成去氧胆酸，以及使用的组合物和方法。还提供了从 Δ-9,11-烯基，11-酮基或11-羟基-β-类固醇合成12-酮基或12-α-羟基类固醇的方法。本发明还涉及在合成过程中制备的新化合物。本发明还涉及从氢化可的松开始合成去氧胆酸的方法。
• Methods for the purification of deoxycholic acid
  申请人：Kythera Biopharmaceuticals, Inc.

  公开号：US10005813B2

  公开（公告）日：2018-06-26

  Synthetic methods for preparing deoxycholic acid and intermediates thereof, high purity synthetic deoxycholic acid, compositions and methods of use are provided. Also, provided are processes for the synthesis of 12-keto or 12-α-hydroxysteroids from Δ-9,11-ene, 11-keto or 11-hydroxy-β-steroids. This invention is also directed to novel compounds prepared during the synthesis. This invention is also directed to the synthesis of deoxycholic acid starting from hydrocortisone.

  提供了制备脱氧胆酸及其中间体的合成方法、高纯度合成脱氧胆酸、组合物和使用方法。此外，还提供了从Δ-9,11-烯、11-酮或 11-羟基-β-类固醇合成 12-酮或 12-α-羟基类固醇的工艺。本发明还涉及在合成过程中制备的新型化合物。本发明还涉及从氢化可的松开始合成脱氧胆酸。
• Carboxy-Directed Asymmetric Hydrogenation of 1,1-Diarylethenes and 1,1-Dialkylethenes
  作者：Song Song、Shou-Fei Zhu、Yan-Bo Yu、Qi-Lin Zhou

  DOI：10.1002/anie.201208606

  日期：2013.1.28
• HYBRID OLIGOMERS, THEIR PREPARATION PROCESS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Violette Aude

  公开号：US20100298206A1

  公开（公告）日：2010-11-25

  The present invention relates to compositions and methods for producing therapeutic oligomeric compounds. In one aspect the invention relates to methods for administering the oligomeric compounds for the treatment and prevention of disease, for example, a fungal infection, bacterial infection, or cancer, in a mammal. In particular, the invention relates to medicaments comprising various novel oligomeric compounds and pharmaceutically acceptable salts thereof. The compounds of the invention may optionally be administered with at least one of a pharmaceutically acceptable excipient, pharmacologically active agent or a combination thereof.