戊酸酯 | 10023-74-2

• 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: 戊酸酯
• 英文名称: pentanoate
• 英文别名: valerate；n-valerate；n-propylacetate
• CAS: 10023-74-2
• 化学式: C₅H₉O₂
• 分子量: 101.125
• InChiKey: NQPDZGIKBAWPEJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  7
• 可旋转键数：
  2
• 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 、 戊酸酯 以 乙醇 为溶剂， 生成 trans-{Co(n-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：

  正戊酸 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 0.42h， 生成 戊酸酯
  参考文献：
  名称：

  Lactones. 2. Enthalpies of hydrolysis, reduction, and formation of the C4-C13 monocyclic lactones. Strain energies and conformations

  摘要：

  The enthalpies of hydrolysis of the monocyclic lactones from gamma-butyrolactone to tridecanolactone were determined calorimetrically, and the acyclic ethyl esters having the same number of atoms were studied in the same fashion. The enthalpies of reduction of the lactones to the corresponding alpha,omega-alkanediols with lithium triethylborohydride also were determined. The enthalpies of formation of the lactones and the ethyl esters were derived from these data. They were converted to values for the gas phase by measuring the enthalpies of vaporization of ethyl esters and of lactones. In the cases of gamma-butyrolactone and delta-valerolactone, the enthalpies of formation were in good accord with the previously reported values determined via combustion calorimetry. The strain energies of the lactones were obtained via isodesmic reactions. Valerolactone had a strain energy of 11 kcal/mol, and the largest strain energy was found with octanolactone (13 kcal/mol). The conformations of gamma-butyrolactone and delta-valerolactone were studied via MP2/6-31G* geometry optimizations, and the conformations of the other lactones were studied with use of the molecular mechanics program MM3. The energies of the lactones estimated via molecular mechanics were compared with the experimental results.

  DOI：

  10.1021/ja00020a036
• 作为试剂：
  描述：

  聚合甲醛 、 (S)-(2-chlorophenyl)-α-2-[(2-thieno)ethyl]amino-acetic acid (R)-1-(dimethylamino)-2-propyl ester 、 (R)-(2-chlorophenyl)-α-2-[(2-thieno)ethyl]amino-acetic acid (R)-1-(dimethylamino)-2-propyl ester 在 盐酸 、 氢溴酸 作用下， 以 戊酸酯 、 异丙醇 为溶剂， 反应 2.0h， 生成 (S)-(2-chloro-phenyl)-α-4,5,6,7-tetrahydro-[3,2-c]thieno-pyridin-5-yl-acetic acid (R)-1-(dimethylamino)-2-propyl ester dihydrobromide 、 (R)-(2-chloro-phenyl)-α-4,5,6,7-tetrahydro-[3,2-c]thieno-pyridin-5-yl-acetic acid (R)-1-(dimethylamino)-2-propyl ester dihydrobromide
  参考文献：
  名称：

  Stereoselektives Verfahren zur Herstellung von Clopidogrel

  摘要：

  公开号：

  EP1589019B1

文献信息

• Clinprost, Isocarbacyclin And Analogs Thereof And Methods Of Making The Same
  申请人：The University Of North Carolina At Greensboro

  公开号：US20140114086A1

  公开（公告）日：2014-04-24

  In one aspect, methods of synthesizing clinprost, isocarbacyclin and analogs thereof are described herein which, in some embodiments, permit an abbreviated synthetic pathway in comparison to one or more prior synthetic methods. By providing a compact synthetic scheme, methods described herein can reduce cost, waste and time of clinprost and isocarbacyclin synthesis while facilitating the development and investigation of analogs of these compounds.

  本文描述了一种合成临前列素、异卡巴肽和其类似物的方法，其中某些实施例与一个或多个先前的合成方法相比，允许缩短合成途径。通过提供一个紧凑的合成方案，本文所述的方法可以减少临前列素和异卡巴肽合成的成本、废物和时间，同时促进这些化合物的类似物的开发和研究。
• Manoalide analogs
  申请人：The Regents of the University of California

  公开号：US04952605A1

  公开（公告）日：1990-08-28

  Analogs of the marine natural product manoalide are useful in treating mammals, including humans, in need of a drug having analgesic/anti-inflammatory, immunosuppressive, and/or antiproliferative activity.

  海洋天然产物曼诺酰胺的类似物在治疗哺乳动物，包括人类中具有镇痛/抗炎、免疫抑制和/或抗增殖活性的药物需求方面非常有用。
• 17 Beta-thiocarboxylic acid esters of 4-halo-3-oxoandrost-4-enes
  申请人：Syntex (U.S.A.) Inc.

  公开号：US04198403A1

  公开（公告）日：1980-04-15

  Certain 3-oxoandrost-4-ene and 3-oxoandrosta-1,4-diene 17 beta-thiocarboxylic acid esters substituted at the 4-position with a fluoro, chloro or bromo and optionally substituted at the six position with fluoro or chloro are useful as anti-inflammatory steroids. These compounds are optionally substituted at the 9 alpha position with fluoro, chloro or bromo; substituted at the 11 with a keto, a beta-hydroxy or a beta-chloro (the latter only when there is a 9 alpha-chloro); substituted at 16 alpha,-17 alpha-positions with isopropylidenedioxy; and substituted at 16 alpha (or 16 beta) with methyl or hydrogen when there is a 17 alpha-hydroxy (or an ester).

  在4位上以氟、氯或溴取代的某些3-氧基雄烯-4-烯和3-氧基雄甾-1,4-二烯17-β-硫代羧酸酯，可选地在六位上以氟或氯取代，可用作抗炎类固醇。这些化合物可选地在9α位上以氟、氯或溴取代；在11位上以酮基、β-羟基或β-氯代取代（只有在存在9α-氯时才有后者）；在16α、17α位上以异丙基亚甲基二氧基取代；在存在17α-羟基（或酯）时，在16α（或16β）位上以甲基或氢原子取代。
• Preparation of trialkylsilyl ethers
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04448980A1

  公开（公告）日：1984-05-15

  In an improved catalytic process for preparing trialkylsilyl ethers from trialkylsilyl compounds and carbonyl group-containing compounds, the improvement consisting of using an organic or inorganic bifluoride (HF.sub.2.sup..crclbar.) as the catalyst.

  一种改进的催化过程用于从三烷基硅化合物和含羰基的化合物制备三烷基硅醚，改进的方法是使用有机或无机双氟化物（HF.sub.2.sup..crclbar.）作为催化剂。
• Treatment of cutaneous hyperproliferative dermatoses with manoalide
  申请人：Allergan, Inc.

  公开号：US04786651A1

  公开（公告）日：1988-11-22

  Manoalide and its derivatives are useful in the treatment of cutaneous hyperproliferative dermatoses.

  Manoalide及其衍生物在治疗皮肤过度增殖性皮肤病方面非常有用。