isovalerate | 5711-68-2

• 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: isovalerate
• 英文别名: i-valerate；3-methylbutanoate；Isopentanoate；isopropylacetate
• CAS: 5711-68-2
• 化学式: C₅H₉O₂
• 分子量: 101.125
• InChiKey: GWYFCOCPABKNJV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  trans-[CoCl2(en)2]ClO4 、 isovalerate 以 乙醇 为溶剂， 生成 trans-{Co(iso-C₄H₉CO₂)2en2}ClO₄
  参考文献：
  名称：

  Linhard, M.; Stirn, G., Zeitschrift fur anorganische Chemie, 1952, vol. 268, p. 105 - 127

  摘要：

  DOI：
• 作为产物：
  描述：

  异戊酸乙酯 在 甲烷磺酸 作用下， 生成 isovalerate
  参考文献：
  名称：

  Kinetic study of the equilibrium in the methanesulfonic acid-water system

  摘要：

  A kinetic study of the hydrolysis of ethyl isovalerate in the methanesulfonic acid-water system from pure water to 60.5% CH3SO3H at 25-degrees-C showed that the hydrolysis rate is directly proportional to the concentration of H5O2+ ions determined by IR spectroscopy. The hydrolysis mechanism is the same as in hydrochloric acid and sulfuric acid solutions. Evidence was found for correctness of the measurements of the equilibrium concentrations of molecules and ions in aqueous methanesulfonic acid solutions by multiple frustrated total internal reflection IR spectroscopy. The possibility was demonstrated for an independent measurement of the equilibrium concentrations of H5O2+ ions by a kinetic method in aqueous acid solutions.

  DOI：

  10.1007/bf00961269
• 作为试剂：
  描述：

  2-(5-溴-7-氟-1,2,3,4-四氢环戊并b吲哚-3-基)乙酸 、 4-氯氯苄 在 caesium carbonate 、 sodium hydroxide 、 水 、 盐酸 作用下， 以 异丁酰胺 、 水 、 isovalerate 为溶剂， 反应 23.08h， 生成 [4-(4-chlorobenzyl)-7-fluoro-5-bromo-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
  参考文献：
  名称：

  WO2006/113150

  摘要：

  公开号：

文献信息

• PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE
  申请人：Parthasaradhi Reddy Bandi

  公开号：US20110237822A1

  公开（公告）日：2011-09-29

  The present invention provides a process for preparation of a key intermediate of valsartan in a pure form and use of this intermediate for the preparation of valsartan or a pharmaceutically acceptable salt in pure form.

  本发明提供了一种制备韦伐地坦的关键中间体的纯形式的方法，并使用该中间体制备纯形式的韦伐地坦或药用可接受盐。
• Process for preparation of valsartan intermediate
  申请人：Parthasaradhi Reddy Bandi

  公开号：US08492577B2

  公开（公告）日：2013-07-23

  The present invention provides a process for preparation of a key intermediate of valsartan in a pure form and use of this intermediate for the preparation of valsartan or a pharmaceutically acceptable salt in pure form.

  本发明提供了一种制备瓦卡他汀的关键中间体的纯形式的方法，并使用该中间体制备纯形式的瓦卡他汀或药用可接受盐。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Co: SVol.B2, 105, page 538 - 541
  作者：

  DOI：——

  日期：——
• Pati, Subas C.; Panda, Markandeswar, Bulletin des Societes Chimiques Belges, 1982, vol. 91, # 4, p. 271 - 282
  作者：Pati, Subas C.、Panda, Markandeswar

  DOI：——

  日期：——
• Formation of interim by-products in methanogenic degradation of butyrate
  作者：Herbert H.P Fang、Xiao-Shan Jia

  DOI：10.1016/s0043-1354(98)00409-6

  日期：1999.6

  The formation of interim by-products during the methanogenic degradation of butyrate was monitored and analyzed in this study. Two series of experiments were conducted at various butyrate concentrations and under the influence of increased partial pressure of hydrogen (P-H2). In all batches, acetate was found most abundant in the mixed liquor, accounting for over 52-83% of carbon in the original butyrate. This confirms that the degradation of butyrate was through acetate by beta-oxidation, and the rate of butyrotrophic acetogenesis was considerably higher than that of acetotrophic methanogenesis. Assuming the degradation followed the Monod equation, the maximum-rate constant mu(max) was found in the range of 3.4-6.0 mg (mg VSS d)(-1) and the half-rate concentration K-s was 700-1150 mg l(-1). Other interim by-products included hydrogen (up to 10(-3.8) atm), propionate (up to 25 mg l(-1)), i-butyrate (up to 780 mg l(-1)), and several higher-molecular-weight carboxylic acids (up to 21 mg l(-1)). All these by-products became fully degraded eventually after reaching the maximum levels, except propionate which remained at the peak concentration. This suggests that the butyrate-degrading sludge was incapable of degrading propionate. Addition of formate to the feed solution increased the P-H2, which enhanced the formation of propionate but did not affect butyrate degradation. The effect of P-H2 on propionate was in accordance with the chemical energy analysis. The chemical energy analysis also suggests that the formation of caproate, one of the higher-molecular-weight acids, was independent of the increase of P-H2. (C) 1999 Elsevier Science Ltd. All rights reserved.

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