(S)-2-hydroxy-2-methylpentanoic acid | 127725-18-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (S)-2-hydroxy-2-methylpentanoic acid
• 英文别名: (S)-2-hydroxy-2-methylpentenoic acid；2-hydroxy-2-methylpentanoic acid；(2S)-2-hydroxy-2-methylpentanoic acid
• CAS: 127725-18-2
• 化学式: C₆H₁₂O₃
• 分子量: 132.159
• InChiKey: BIEZUWIUHAKFHZ-LURJTMIESA-N

物化性质

• 沸点：
  251.3±13.0 °C(Predicted)
• 密度：
  1.103±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-羟基-2-甲基戊腈 在 盐酸 、 yeast (Pichia miso IAM 4682) 作用下， 生成 (S)-2-hydroxy-2-methylpentanoic acid
  参考文献：
  名称：

  Kinetic resolution of ketone cyanohydrin acetates with a microbial enzyme

  摘要：

  DOI：

  10.1016/s0040-4039(00)88486-5

文献信息

• Phenylglycine Methyl Ester, a Useful Tool for Absolute Configuration Determination of Various Chiral Carboxylic Acids
  作者：Tetsuya Yabuuchi、Takenori Kusumi

  DOI：10.1021/jo991218a

  日期：2000.1.1

  A new chiral anisotropic reagent, phenylglycine methyl ester (PGME), developed for the elucidation of the absolute configuration of chiral alpha,alpha-disubstituted acetic acids, has turned out to be applicable to other substituted carboxylic acids, such as chiral alpha-hydroxy-, alpha-alkoxy-, and alpha-acyloxy-alpha, alpha-disubstituted acetic acids, as well as to chiral beta, beta-disubstituted

  为了阐明手性α，α-二取代乙酸的绝对构型而开发的一种新的手性各向异性试剂苯甘氨酸甲酯（PGME）已证明可用于其他取代的羧酸，例如手性α-羟基- ，α-烷氧基-和α-酰氧基-α，α-二取代的乙酸，以及手性β，β-二取代的丙酸。由于羧基部分可从其他官能团转化而来，例如烯烃的臭氧分解和二醇的氧化裂解，因此，本发现可将PGME方法的用途扩展到各种类型有机化合物的绝对构型测定，甚至那些最初缺乏氧气功能。描述了化学反应和PGME方法结合的几个例子。
• Enzymatic kinetic resolution of cyanohydrin acetates and its application to the synthesis of ()-(−)-frontalin
  作者：Hiromichi Ohta、Yoichi Kimura、Yasushi Sugano、Takeshi Sugai

  DOI：10.1016/s0040-4020(01)89493-x

  日期：1989.1

  Kinetic resolution of racemic 1-cyano-1-methylalkyl and alkenyl acetates has been achieved on incubation with IAM 4682, which hydolyzed selectively the ()-enantiomer, leaving behind the ()-enantiomer intact. The chiral 1-cyano-1-methyl-5-hexenyl acetate thus obtained was converted to ()-(−)-frontalin via unsaturated diol.

  通过与IAM 4682孵育可以实现外消旋的1-氰基-1-甲基烷基和乙酸烯基酯的动力学拆分，IAM 4682选择性地水解（- ）-对映体，而完整保留（）-对映体。如此获得的手性1-氰基-1-甲基-5-甲基-5-己烯基乙酸酯经不饱和二醇转化为（）-（-）-额叶蛋白。
• Method and compositions for identifying anti-hiv therapeutic compounds
  申请人：Birkus Gabriel

  公开号：US20060115815A1

  公开（公告）日：2006-06-01

  Methods are provided for identifying anti-HIV therapeutic compounds substituted with carboxyl ester or phosphonate ester groups. Libraries of such compounds are screened optionally using the novel enzyme GS-7340 Ester Hydrolase. Compositions and methods relating to GS-7340 Ester Hydrolase also are provided.

  提供了一种鉴定具有羧酸酯或膦酸酯基团的抗HIV治疗化合物的方法。可以使用新型酶GS-7340 Ester Hydrolase筛选这些化合物的库。还提供了与GS-7340 Ester Hydrolase相关的组合物和方法。
• Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds
  申请人：Arimilli N. Murty

  公开号：US20050209197A1

  公开（公告）日：2005-09-22

  Phosphonate substituted compounds with HIV protease inhibitory properties having use as therapeutics and for other industrial purposes are disclosed. The compositions inhibit HIV protease activity and/or are useful therapeutically for the treatment of AIDS and other antiviral infections, as well as in assays for the detection of HIV protease.

  本发明揭示了具有抗HIV蛋白酶活性的膦酸酯取代化合物，可用作治疗剂和其他工业用途。该组合物抑制HIV蛋白酶活性和/或在治疗艾滋病和其他抗病毒感染方面有用，以及在检测HIV蛋白酶的测定中有用。
• Adducts of bis (cyclic vinyl ethers) with carboxylic acids and their use in enantioselective synthesis
  申请人：Chiroscience Limited

  公开号：EP0646585A1

  公开（公告）日：1995-04-05

  An adduct of a 2,2'-bis(cyclic vinyl ether) such as bis-dihydropyran and a chiral compound that has the formula         R₁CH(XH)-COOH wherein R₁ is an inert substituent and X is a heteroatom. Such an adduct can be used to prepare an enantiopure acid of the formula         R₁R₂C(XH)-COOH by reaction with base and then with a corresponding electrophile capable of introducing the group R₂, and releasing the desired enantiomer from the appropriate diastereomer.

  2,2'-双（环乙烯基醚）（如双二氢吡喃）与手性化合物的加合物，其式为 R₁CH(XH)-COOH 其中 R₁ 是惰性取代基，X 是杂原子。这种加合物可用于制备式如下的对映体纯酸 R₁R₂C(XH)-COOH 与碱反应，然后与能够引入基团 R₂ 的相应亲电子体反应，从适当的非对映异构体中释放出所需的对映体。