3-羟基-2-(1-甲基乙基)-丁酸 | 176712-60-0

• 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: 3-羟基-2-(1-甲基乙基)-丁酸
• 英文名称: 3-hydroxy-2-(1-methylethyl)-butyric acid
• 英文别名: 3-hydroxy-2-isopropyl-butyric acid；4-Oxy-2-methyl-pentan-carbonsaeure-(3)；3-Hydroxy-2-isopropyl-buttersaeure；β-Oxy-δ-methyl-pentan-γ-carbonsaeure；β-Oxy-α-isopropyl-buttersaeure；2-Methyl-3-methylsaeure-pentanol-(4)；3-Hydroxy-2-isopropylbutanoic acid；2-(1-hydroxyethyl)-3-methylbutanoic acid
• CAS: 176712-60-0
• 化学式: C₇H₁₄O₃
• 分子量: 146.186
• InChiKey: FZHDIRNCGBBUOS-UHFFFAOYSA-N

物化性质

• 沸点：
  111.5-114 °C(Press: 37-38 Torr)
• 密度：
  1.064±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-羟基-2-(1-甲基乙基)-丁酸 在 phosphorus pentoxide 作用下， 生成 (E)-2-(1-methylethyl)-2-butenoic acid 、 (Z)-2-(1-methylethyl)-2-butenoic acid
  参考文献：
  名称：

  The pheromone system of the male danaine butterfly, Idea leuconoe

  摘要：

  Male Idea leuconoe butterflies release a complex mixture of volatiles from their pheromone glands (hairpencils) during courtship. The pheromone components geranyl methyl thioether (2), viridifloric beta-lactone (3) and 6-hydroxy-4-dodecanolide (10) have been synthesized for the first lime. Therefore, the structural assignment of these new natural products could be proved. Related 7-hydroxy-5-alkanolides are also present in the extract. The volatiles are embedded in a lipidic matrix with more than 150 components. This matrix consists of alkanes, alkenes, 3,5-dialkyltetrahydrofurans, secondary alkanols and alkenols as well as alkanones and alkenones. Several regioisomers of the oxidized hydrocarbons occur. The elucidation of double bond positions has been performed by MS using DMDS adducts. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0968-0896(96)00011-9
• 作为产物：
  描述：

  3-hydroxy-2-isopropyl-butyraldehyde 在 potassium permanganate 作用下， 生成 3-羟基-2-(1-甲基乙基)-丁酸
  参考文献：
  名称：

  Ehrenfreund, Monatshefte fur Chemie, 1905, vol. 26, p. 1009

  摘要：

  DOI：

文献信息

• COMPOUNDS FROM ANTRODIA CINNAMOMEA AND USE THEREOF
  申请人：SIMPSON BIOTECH CO., LTD.

  公开号：US20130225649A1

  公开（公告）日：2013-08-29

  The present invention relates to compounds from Antrodia cinnamomea . The present invention also relates to a composition and a method for treating or prophylaxis of hepatitis C virus (HCV) or human immunodeficiency virus (HIV) infection.

  本发明涉及来自红树菇的化合物。本发明还涉及一种用于治疗或预防丙型肝炎病毒（HCV）或人类免疫缺陷病毒（HIV）感染的组合物和方法。
• CEPHEM COMPOUND HAVING PSEUDO-CATECHOL GROUP
  申请人：Yamawaki Kenji

  公开号：US20130079319A1

  公开（公告）日：2013-03-28

  A compound of the formula: wherein X is —N═, —CH═, or the like; W is —CH 2 — or the like; U is —S— or the like; R 1 and R 2 are each independently hydrogen, halogen, optionally substituted lower alkyl, or the like; Q is a single bond or the like; R 3 is hydrogen or the like; Ring A is a 6-membered aromatic heterocyclic group having 1-3 nitrogen atoms; each R 4 is independently hydrogen, halogen, or the like; m is an integer from 0 to 2; G is —C(═O)— or the like; D is a single bond, —NH—, or the like; and E is a cyclic quaternary ammonium group, or an ester, a protected compound at the amino on the ring in the 7-side chain, a pharmaceutically acceptable salt, or a solvate thereof.

  该化合物的化学式为：其中X为—N═、—CH═或类似基团；W为—CH2—或类似基团；U为—S—或类似基团；R1和R2各自独立地为氢、卤素、选择性取代的低碳基或类似基团；Q为单键或类似键；R3为氢或类似基团；环A为一个6元芳香杂环基团，具有1-3个氮原子；每个R4独立地为氢、卤素或类似基团；m为0到2的整数；G为—C(═O)—或类似基团；D为单键、—NH—或类似基团；E为一个环状季铵基团，或者是在7侧链上的氨基处的酯、保护化合物、药学上可接受的盐或其溶剂化物。
• An approach to the detection of synthetic milk in dairy milk: 4. Effect of the addition of synthetic milk on the flow behaviour of pure cow milk
  作者：Manish M Paradkar、Rekha S Singhal、Pushpa R Kulkarni

  DOI：10.1046/j.1471-0307.2001.00005.x

  日期：2001.2

  The flow behaviour of cow milk, synthetic milk and their blends was evaluated with a Haake rheometer. Changes in flow behaviour are thought to be due to detergent, an important constituent of synthetic milk, which emulsifies the vegetable fat in the aqueous phase. The results are of value in detecting very low levels (1–10%) of synthetic milk in cow milk.

  使用Haake流变仪对牛乳、合成乳及其混合物的流动行为进行了评估。流动行为的改变被认为是由合成乳中的一种重要成分（洗涤剂）引起的，该成分使水相中的植物脂肪发生乳化。这些结果对于检测牛乳中极低浓度（1%-10%）的合成乳具有价值。
• Wogrinz, Monatshefte fur Chemie, 1901, vol. 22, p. 7
  作者：Wogrinz

  DOI：——

  日期：——
• Wogrinz, Monatshefte fur Chemie, 1903, vol. 24, p. 248
  作者：Wogrinz

  DOI：——

  日期：——