4-丙基硫烷基丁酸 | 79313-53-4

• 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: 4-丙基硫烷基丁酸
• 英文名称: 4-(n-propylthio)butyric acid
• 英文别名: 4-Propylthiobutanoic acid；4-propylsulfanyl-butyric acid；4-Propylmercapto-buttersaeure；4-(Propylsulfanyl)butanoic acid；4-propylsulfanylbutanoic acid
• CAS: 79313-53-4
• 化学式: C₇H₁₄O₂S
• mdl: MFCD11136015
• 分子量: 162.253
• InChiKey: BFDYUYMNXYTUCS-UHFFFAOYSA-N

物化性质

• 沸点：
  168-170 °C(Press: 23 Torr)
• 密度：
  1.062±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-丙基硫烷基丁酸 在 草酰氯 作用下， 反应 4.0h， 生成 4-Propylsulfanyl-butyric acid 3,6,7,10,11-pentakis-(4-propylsulfanyl-butyryloxy)-triphenylen-2-yl ester
  参考文献：
  名称：

  Effect of heteroatoms in the side chains of disklike molecules on the formation of discotic liquid crystalline phases

  摘要：

  Incorportion of oxygen and sulfur atoms into the side chains of discotic liquid crystals generally results in a depression of both the crystal to discotic and discotic to isotropic transition temperatures relative to the n-alkyl analogue. In contrast, replacement of the methylenes in side-chain positions 4 of 2,3,6,7,10,11-hexakis(alkanoyloxy)triphenylenes increases the clearing (M-I) temperature from 120 to 200-degrees-C. This effect is specific for sulfur substitution, to the triphenylene series, and to the 4-position. It is not expected, based on a simple model for discotic-phase formation.

  DOI：

  10.1021/jo00021a020
• 作为产物：
  描述：

  4-氯丁腈 、 丙烷-1-硫醇 在 sodium hydroxide 作用下， 生成 4-丙基硫烷基丁酸
  参考文献：
  名称：

  A New Series of Testosterone Esters

  摘要：

  DOI：

  10.1021/ja01178a030

文献信息

• Pharmaceutical composition for treatment of diseases associated with decrease in bone mass comprising EP4 agonist as active ingredient
  申请人：Ono Pharmaceutical Co., Ltd.

  公开号：EP2255829A2

  公开（公告）日：2010-12-01

  A pharmaceutical composition for topical administration for prevention and/or treatment of diseases associated with decrease in bone mass comprising an EP4 agonist as an active ingredient. An EP4 agonist, in which includes a compound possessing prostaglandin skeleton as a representative, possesses promoting action on bone formation, so it is useful for prevention and/or treatment of diseases associated with decrease in bone mass (bone diseases such as primary osteoporosis, secondary osteoporosis, bone metastasis of cancer, hypercalcemia, Paget's disease, bone loss and bone necrosis, postoperative osteogenesis, alternative therapy for bone grafting).

  一种局部用药的药物组合物，用于预防和/或治疗与骨量减少有关的疾病，其活性成分包括一种 EP4 激动剂。EP4激动剂（其中包括以前列腺素骨架为代表的化合物）具有促进骨形成的作用，因此可用于预防和/或治疗与骨量减少有关的疾病（骨病，如原发性骨质疏松症、继发性骨质疏松症、癌症骨转移、高钙血症、Paget病、骨丢失和骨坏死、术后成骨、植骨替代疗法）。
• Sulfur containing polyhydroxyalkanoate compositions and method of production
  申请人：Tepha, Inc.

  公开号：US20020106764A1

  公开（公告）日：2002-08-08

  A class of biopolymer including sulfur in the form of a thioester in the polymer backbone or a thioether in the polymer side chains has been developed. These are preferably produced by fermentation of bacteria with appropriate sulfur containing substrates, which are incorporated by a broad spectrum polyhydroxyalkanoate (“PHA”) polymerase. The sulfur-containing PHAs allow various applications and uses in industry. Representative embodiments of the applications of the sulfur-containing PHAs include their uses in the packaging industry, medicine, pharmacy, agriculture or food industry, as active agents or as coatings, packaging, or carriers.

  目前已开发出一类生物聚合物，其中的硫以硫酯形式存在于聚合物主链中，或以硫醚形式存在于聚合物侧链中。这些生物聚合物最好通过细菌发酵与适当的含硫底物一起生产，并通过广谱聚羟基烷酸（"PHA"）聚合酶结合。含硫 PHA 在工业中具有多种应用和用途。含硫 PHA 的代表性应用实例包括在包装工业、医药、制药、农业或食品工业中用作活性剂或涂层、包装或载体。
• Photochemical reactions of .gamma.-keto sulfides
  作者：Peter Y. Johnson、Glenn A. Berchtold

  DOI：10.1021/jo00828a008

  日期：1970.3
• Hard acid and soft nucleophile systems. 5. Ring-opening reaction of lactones to .omega.-alkylthio- or .omega.-arylthio carboxylic acids with aluminum halide and thiol
  作者：Manabu Node、Kiyoharu Nishide、Masahito Ochiai、Kaoru Fuji、Eiichi Fujita

  DOI：10.1021/jo00338a020

  日期：1981.12
• The Intramolecular Cleavage of γ-Alkylmercaptobutyryl Chlorides
  作者：William E. Truce、Donald J. Abraham

  DOI：10.1021/jo01039a021

  日期：1963.4