2-methyl-3-phenylsulfanyl-propanoic acid | 775-20-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-methyl-3-phenylsulfanyl-propanoic acid
• 英文别名: 2-methyl-3-phenylsulfanyl-propionic acid；2-methyl-3-(phenylthio)propionic acid；2-methyl-3-phenylthiopropionic acid；β-phenylsulfanyl-isobutyric acid；β-Phenylmercapto-isobuttersaeure；2-[(benzenethio)methyl]-propionic acid；2-Methyl-3-(phenylsulfanyl)propanoic acid；2-methyl-3-phenylsulfanylpropanoic acid
• CAS: 775-20-2
• 化学式: C₁₀H₁₂O₂S
• mdl: MFCD12132651
• 分子量: 196.27
• InChiKey: UFPQPCFCVBHXFQ-UHFFFAOYSA-N

物化性质

• 熔点：
  45 °C
• 沸点：
  188-190 °C(Press: 12 Torr)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 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：

  2-methyl-3-phenylsulfanyl-propanoic acid 在 氯化亚砜 作用下， 生成 2-methyl-3-phenylthiopropionyl chloride
  参考文献：
  名称：

  通过甲基(苯基(叔丁基)硫甲基)乙烯酮的环加载合成邻位取代的环戊烯衍生物

  摘要：

  甲基（苯基（或叔丁基）硫甲基）烯酮与环戊二烯的环加成得到双环环丁酮衍生物，该衍生物进一步转化为在邻位具有烯基和羰基取代基的环戊烯体系。

  DOI：

  10.1246/cl.1982.587
• 作为产物：
  描述：

  3-(苯基硫代)异丁酸甲酯 在 盐酸 作用下， 生成 2-methyl-3-phenylsulfanyl-propanoic acid
  参考文献：
  名称：

  Bossert,F., Justus Liebigs Annalen der Chemie, 1964, vol. 680, p. 40 - 51

  摘要：

  DOI：

文献信息

• &bgr;-sulfonyl hydroxamic acids
  申请人：Pharmacia & Upjohn Company

  公开号：US06235928B1

  公开（公告）日：2001-05-22

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof. Such compounds may be incorporated into pharmaceutical compositions which can inhibit various enzymes from the matrix metalloproteinase family.

  本发明提供了一种化合物的结构式(I)或其药学上可接受的盐。这些化合物可以被纳入药物组合物中，可以抑制来自基质金属蛋白酶家族的各种酶。
• Iodine catalyzed conjugate addition of mercaptans to α,β-unsaturated carboxylic acids under solvent-free condition
  作者：Shijay Gao、Tingkai Tzeng、M.N.V. Sastry、Cheng-Ming Chu、Ju-Tsung Liu、Chunchi Lin、Ching-Fa Yao

  DOI：10.1016/j.tetlet.2006.01.080

  日期：2006.3

  We have described herein molecular iodine catalyzed Michael addition of thiol to α,β-unsaturated carboxylic acids. This environmentally benign catalytic system (iodine) used under mild and solvent-free conditions to achieve the corresponding adducts in excellent yield.

  我们已经在本文中描述了分子碘催化硫醇向α，β-不饱和羧酸的迈克尔加成。此环境友好的催化体系（碘）可在温和且无溶剂的条件下使用，以优异的收率获得相应的加合物。
• Facile Thiol–Ene Click Protocol Using Benzil as Sensitizer and White LED as Light Source
  作者：Anupam Das、K. R. Justin Thomas

  DOI：10.1002/ejoc.202001275

  日期：2020.12.13

  Light‐induced photo‐sensitized reactions of alkenes and alkynes with thiols to form thioethers are described. High selectivity with large functional group compatibility for aromatic as well as aliphatic alkenes is also demonstrated.

  描述了光诱导的烯烃和炔烃与硫醇形成硫醚的光敏反应。还证明了对芳香族和脂肪族烯烃具有高官能团相容性的高选择性。
• .beta.-sulfonyl hydroxamic acids
  申请人：Pharmacia & Upjohn Company

  公开号：US05847153A1

  公开（公告）日：1998-12-08

  The present invention provides a compound of formula I ##STR1## or pharmaceutical acceptable salts thereof wherein R.sub.1 is C.sub.4-12 alkyl, C.sub.4-12 alkenyl, C.sub.4-12 alkynyl, --(CH.sub.2).sub.h -C.sub.3-8 cycloalkyl, --(CH.sub.2).sub.h -aryl, or --(CH.sub.2).sub.h -het; R.sub.2 is C.sub.1-12 alkyl, C.sub.2-12 alkenyl, C.sub.2-12 alkynyl, --(CH.sub.2).sub.h -C.sub.3-8 cycloalkyl, --(CH.sub.2).sub.h -C.sub.3-8 cycloalkenyl, --(CH.sub.2).sub.h -aryl, --(CH.sub.2).sub.h -het, --(CH.sub.2).sub.h -Q, --(CH.sub.2).sub.i -X-R.sub.4, or --(CH.sub.2).sub.i CHR.sub.5 R.sub.6. The compounds are inhibitors of matrix metalloproteinases involved in tissue degradation.

  本发明提供了一种具有以下结构的化合物I ##STR1## 或其药用盐，其中R.sub.1为C.sub.4-12烷基，C.sub.4-12烯基，C.sub.4-12炔基，--(CH.sub.2).sub.h -C.sub.3-8环烷基，--(CH.sub.2).sub.h -芳基，或--(CH.sub.2).sub.h -杂环基；R.sub.2为C.sub.1-12烷基，C.sub.2-12烯基，C.sub.2-12炔基，--(CH.sub.2).sub.h -C.sub.3-8环烷基，--(CH.sub.2).sub.h -C.sub.3-8环烯基，--(CH.sub.2).sub.h -芳基，--(CH.sub.2).sub.h -杂环基，--(CH.sub.2).sub.h -Q，--(CH.sub.2).sub.i -X-R.sub.4，或--(CH.sub.2).sub.i CHR.sub.5 R.sub.6。这些化合物是涉及组织降解的基质金属蛋白酶抑制剂。
• 3(1-hydoxyethyl)azetidinone compounds and their production
  申请人：Sumitomo Pharmaceuticals Company, Limited

  公开号：US05134231A1

  公开（公告）日：1992-07-28

  An amino acid compound of the formula: ##STR1## wherein R is a lower alkyl group, R.sub.1 is a hydrogen atom or a protecting group for carboxyl, R.sub.2 is a hydrogen atom, a protecting group for amino, an optionally substituted allyl group of the formula: ##STR2## (wherein R.sub.3 and R.sub.4 are each a hydrogen atom, a lower alkyl group or an aryl group), a beta-hydroxyethyl group in which the hydroxyl group is optionally protected, a formylmethyl group in which the formyl group is optionally protected, a carboxymethyl group in which the carboxyl group is protected or a 2-furylmethyl group and X is an optionally protected carboxyl group, a hydroxymethyl group in which the hydroxyl group is optionally protected or a substituted mercaptomethyl group of the formula: --CH.sub.2 SR.sub.5 (wherein R.sub.5 is an aryl group or an ar(lower)alkyl group), which is a useful intermediate in the synthesis of 1-alkylcarbapenem compounds.

  该化合物为氨基酸化合物，化学式为：##STR1## 其中R为较低的烷基基团，R.sub.1为氢原子或羧基的保护基团，R.sub.2为氢原子、氨基的保护基团，或是一个可选取代的烯丙基团，化学式为：##STR2##（其中R.sub.3和R.sub.4分别为氢原子、较低的烷基基团或芳基基团），β-羟乙基基团中的羟基可能被保护，甲酰甲基基团中的甲酰基可能被保护，羧甲基基团中的羧基被保护，或者2-呋喃甲基基团，X为可选的保护羧基，羟甲基基团中的羟基可能被保护，或者一个被取代的巯基甲基基团，化学式为：--CH.sub.2SR.sub.5（其中R.sub.5为芳基或烷基基团），这是合成1-烷基卡巴比林类化合物中的有用中间体。