3-hydroxy-4,4-dimethylpentanoic acid | 53480-83-4

• 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: 3-hydroxy-4,4-dimethylpentanoic acid
• 英文别名: (S)-3-hydroxy-4,4-dimethylpentanoic acid；(3S)-3-hydroxy-4,4-dimethylpentanoicacid；(3S)-3-hydroxy-4,4-dimethylpentanoic acid
• CAS: 53480-83-4
• 化学式: C₇H₁₄O₃
• 分子量: 146.186
• InChiKey: UMVNKAKAHIUGIE-YFKPBYRVSA-N

物化性质

• 沸点：
  257.3±23.0 °C(Predicted)
• 密度：
  1.069±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-hydroxy-4,4-dimethylpentanoic acid 生成 (S)-3-hydroxy-N,N,4,4-tetramethylpentanamide
  参考文献：
  名称：

  Cinquini, Mauro, Phosphorus and Sulfur and the Related Elements, 1985, vol. 24, p. 39 - 72

  摘要：

  DOI：
• 作为产物：
  描述：

  新戊酰基乙腈 在 盐酸 、 Curvularia lunata CECT 2130 作用下， 以 甲醇 、 phosphate buffer 为溶剂， 反应 1.0h， 生成 3-hydroxy-4,4-dimethylpentanoic acid
  参考文献：
  名称：

  Enantio- and chemoselective bioreduction of β-keto nitriles by the fungus Curvularia lunata

  摘要：

  The use of methanol as cosolvent allows the chemoselective reduction of aromatic beta -keto nitriles by the fungus Curvularia lunata CECT 2130, yielding the corresponding (S)-beta -hydroxy nitriles in a highly enantioselective way. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(00)00348-7

文献信息

• ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS
  申请人：H. Lundbeck A/S

  公开号：US20210032196A1

  公开（公告）日：2021-02-04

  The present invention provides novel compounds which activate the Kv7 potassium channels. Separate aspects of the invention are directed to pharmaceutical compositions comprising said compounds and uses of the compounds to treat disorders responsive to the activation of Kv7 potassium channels.

  本发明提供了激活Kv7钾通道的新化合物。该发明的不同方面涉及包含所述化合物的药物组合物以及利用这些化合物治疗对Kv7钾通道激活敏感的疾病。
• N-heterocyclic bicyclic lactone compounds
  申请人：——

  公开号：US20040087569A1

  公开（公告）日：2004-05-06

  Novel N-heterocyclic bicyclic lactone compounds of formula I and its novel hydroxyamide precursors of formula IV, 1 are synthesized by coupling a hydroxy acid of formula II with an ester of formula III or a pharmaceutically acceptable salt thereof, 2 in the presence of a peptide coupling reagent to produce a hydroxyamide of formula IV, and cyclizing the hydroxyamide of formula IV to produce compounds of formula 1.

  通过将公式II的羟基酸与公式III的酯或其药用可接受的盐耦合，在肽偶联试剂的存在下，合成公式I的新型N-杂环双环内酯化合物及其新型羟酰胺前体（公式IV），生成公式IV的羟酰胺，并将公式IV的羟酰胺环化以产生公式1的化合物。
• New chiral acetate imide enolate for stereoselective aldol reactions
  作者：Claudio Palomo、Mikel Oiarbide、Alberto González、Jesús M. García、Fabienne Berrée、Anthony Linden

  DOI：10.1016/0040-4039(96)01520-1

  日期：1996.9

  The chiral imide acetate 4 reacts upon lithium and titanium enolate formation conditions with aldehydes in a stereoselective manner. Remarkably, aldols obtained from aromatic and α,β-unsaturated aldehydes exhibited opposite stereochemistry than those obtained from aliphatic aldehydes.

  手性酰亚胺乙酸酯4在锂和烯醇钛的形成条件下与醛以立体选择性的方式反应。显着地，从芳族和α，β-不饱和醛获得的醇醛与从脂族醛获得的醇具有相反的立体化学。
• Chiral acetate enolate equivalent for the synthesis of β-hydroxy acids and esters: X-ray crystal structure of RR,SS-(η5-C5H5)Fe(CO)(PPh3)(COCH2CH(OH)CH2CH3)]
  作者：Stephen G. Davies、Isabelle M. Dordor-Hedgecock、Peter Warner、Richard H. Jones、Keith Prout

  DOI：10.1016/0022-328x(85)87369-1

  日期：1985.4

  The aluminium enolate derived from the iron acetyl complex [(η5-C5H5Fe(CO)(PPh3)COCH3], in contrast to the lithium enolate, undergoes highly stereoselective aldol reactions with aldehydes to generate RR,SS-β-hydroxyacyl complexes which on decomplexation liberate β-hydroxy acids or esters. Determination of the molecular structure of RR,SS-[η5-C5H5)Fe(CO)(PPh3)(COCH2CH(OH)CH2CH3] allowed assignment of

  从铁衍生乙酰复杂的烯醇化铝[（η 5 -C 5 H ^ 5的Fe（CO）（PPH 3）COCH 3 ]，在对比的烯醇化锂，与醛生成经受高立体选择性羟醛缩合反应RR，SS - β羟络合物解络上释放β羟基酸或酯的分子结构的测定。RR，SS - [η 5 -C 5 H ^ 5）的Fe（CO）（PPH 3）（COCH 2 CH（OH）CH 2 CH 3 ]允许分配新手性中心的相对构型。
• Devant, Ralf; Braun, Manfred, Chemische Berichte, 1986, vol. 119, # 7, p. 2191 - 2207
  作者：Devant, Ralf、Braun, Manfred

  DOI：——

  日期：——