3-(acetylthio)-2-phenyl propanoic acid | 129673-34-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(acetylthio)-2-phenyl propanoic acid
• 英文别名: 3-(acetylthio)-2-phenylpropanoic acid；3-acetylthio-2-phenylpropanoic acid；3-Acetylsulfanyl-2-phenylpropanoic acid
• CAS: 129673-34-3
• 化学式: C₁₁H₁₂O₃S
• 分子量: 224.28
• InChiKey: BYQACNDMVVPODX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  79.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(acetylthio)-2-phenyl propanoic acid 在 硫酸 作用下， 反应 5.0h， 生成 3-mercapto-2-phenylpropanoic acid
  参考文献：
  名称：

  Downfield chemical shifts at ?-protons and carbons of ?-propiothiolactones

  摘要：

  Both the alpha-protons and carbons of beta-propiothiolactones exhibit atypical downfield chemical shifts. The alpha-protons of beta-propiothioiactones with no heteroatom at the alpha-position appear at 3.53-5.35 ppm, whereas the alpha-carbons appear at 56.9-86.2 ppm. The major cause of the unexpected deshielding effect was rationalized by assuming a through-space interaction between the occupied orbital of the alpha-carbon and the vacant orbital of sulfur, Copyright (C) 2000 John Wiley & Sons, Ltd.

  DOI：

  10.1002/1097-458x(200006)38:6<468::aid-mrc675>3.0.co;2-f
• 作为产物：
  描述：

  2-苯基丙烯酸 、 硫代乙酸 以 四氢呋喃 为溶剂， 反应 18.0h， 生成 3-(acetylthio)-2-phenyl propanoic acid
  参考文献：
  名称：

  Downfield chemical shifts at ?-protons and carbons of ?-propiothiolactones

  摘要：

  Both the alpha-protons and carbons of beta-propiothiolactones exhibit atypical downfield chemical shifts. The alpha-protons of beta-propiothioiactones with no heteroatom at the alpha-position appear at 3.53-5.35 ppm, whereas the alpha-carbons appear at 56.9-86.2 ppm. The major cause of the unexpected deshielding effect was rationalized by assuming a through-space interaction between the occupied orbital of the alpha-carbon and the vacant orbital of sulfur, Copyright (C) 2000 John Wiley & Sons, Ltd.

  DOI：

  10.1002/1097-458x(200006)38:6<468::aid-mrc675>3.0.co;2-f

文献信息

• Aminobenzoic and aminocyclohexane-carboylic acid compounds, compositions, and their method of use
  申请人：E.R. SQUIBB & SONS, INC.

  公开号：EP0361365A1

  公开（公告）日：1990-04-04

  Compounds of the formula wherein X is inhibit the action of neutral endopeptidase. As a result, such compounds produce diuresis, natriuresis, and lower blood pressure as well as being useful in the treatment of congestive heart failure, relieving pain, and diarrhea when administered to a mammalian host.

  其中X的化合物抑制中性内肽酶的作用。因此，这些化合物产生利尿、排钠和降低血压的效果，同时在治疗充血性心力衰竭、缓解疼痛和腹泻时对哺乳动物宿主有用。
• Carboxymethyl esters of mercaptopropanoic acids as enkephalinase
  申请人：E. R. Squibb and Sons, Inc.

  公开号：US04611002A1

  公开（公告）日：1986-09-09

  New carboxymethyl esters of mercaptopropanoic acids, and salts thereof, have the formula ##STR1## wherein R is hydrogen or lower alkanoyl; R.sub.1 is hydrogen, lower alkyl, phenylalkyl and phenyl; R.sub.2 is hydrogen, lower alkyl, phenyl, phenyl-lower alkyl, 4-hydroxyphenyl-lower alkyl or indolyl-lower alkyl. These compounds are useful as enkephalinase inhibitors and hypotensive agents.

  新的巯基丙酸羧甲酯及其盐具有以下结构式：其中R为氢或较低的烷酰基；R1为氢、较低的烷基、苯基烷基和苯基；R2为氢、较低的烷基、苯基、苯基-较低的烷基、4-羟基苯基-较低的烷基或吲哚基-较低的烷基。这些化合物可用作脑啡肽酶抑制剂和降压剂。
• US4105776A
  申请人：——

  公开号：US4105776A

  公开（公告）日：1978-08-08
• US4154840A
  申请人：——

  公开号：US4154840A

  公开（公告）日：1979-05-15
• US4611002A
  申请人：——

  公开号：US4611002A

  公开（公告）日：1986-09-09