2-Chloro-2-methyl-3-phenylpropanoic acid | 1011-87-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 2-Chloro-2-methyl-3-phenylpropanoic acid
• 英文别名: 2-chloro-2-methyl-3-phenyl-propionic acid；2-Chlor-2-methyl-3-phenyl-propionsaeure；2-Benzyl-2-chlor-propionsaeure
• CAS: 1011-87-6
• 化学式: C₁₀H₁₁ClO₂
• 分子量: 198.649
• InChiKey: FMENLZZIIPYTOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 、 甲酸 作用下， 生成 2-Chloro-2-methyl-3-phenylpropanoic acid
  参考文献：
  名称：

  Dombrowskii et al., Zhurnal Obshchei Khimii, 1957, vol. 27, p. 3346,3347; engl. Ausg. S. 3381

  摘要：

  DOI：

文献信息

• AMINOACID DERIVATIVES CONTAINING A DISULFANYL GROUP IN THE FORM OF MIXED DISULFANYL AND AMINOPEPTIDASE N INHIBITORS
  申请人：Roques Bernard

  公开号：US20090012153A1

  公开（公告）日：2009-01-08

  The invention relates to novel compounds of formula (I): H 2 N—CH(R 1 )—CH 2 —S—S—CH 2 —CH(R 2 )—CONH—R 5 , wherein R 1 is a hydrocarbon chain, phenyl or benzyl radical, methylene radical substituted by a 5 or 6 atom heterocycle; R 2 is a phenyl or benzyl radical, a 5 or 6 atom aromatic heterocycle, methylene group substituted by a 5 or 6 atom heterocycle; R 5 is a CH(R 3 )—COOR 4 radical, wherein R 3 is hydrogen, an OH or OR group, a saturated hydrocarbon group, a phenyl or benzyl radical and OR 4 is hydrophile ester, or 5 or 6 membered heterocycle comprising several heteroatoms selected from a group consisting of nitrogen, sulphur and oxygen, with at least two nitrogene atoms, wherein said heterocycle is substitutable by an alkyl C 1 -C 6 , phenyl or benzyl radical. The use of the inventive compounds in the form of drugs, a pharmaceutical composition comprising said compounds, a pharmaceutically acceptable excipient, the use in conjunction of at least one type of cannabinoid derivative for potentiating the analgesic and antidepressant effect of the novel compounds of formula (I) and/or morphine or the derivatives thereof are also disclosed.

  该发明涉及式(I)的新化合物：H2N—CH(R1)—CH2—S—S—CH2—CH(R2)—CONH—R5，其中R1是一个碳氢链、苯基或苯甲基基团，甲基基团被一个5或6原子杂环取代；R2是一个苯基或苯甲基基团，一个5或6原子芳香杂环，甲基基团被一个5或6原子杂环取代；R5是一个CH(R3)—COOR4基团，其中R3是氢、一个OH或OR基团、一个饱和碳氢基团、一个苯基或苯甲基基团，OR4是亲水酯基，或者由氮、硫和氧组成的几个杂原子选自的5或6元杂环，至少有两个氮原子，其中所述杂环可被一个烷基C1-C6、苯基或苯甲基基团取代。该发明化合物的用途包括作为药物、包含所述化合物的药物组合物、药用可接受的赋形剂，以及与至少一种大麻素衍生物联合使用以增强式(I)式新化合物的镇痛和抗抑郁效果和/或吗啡或其衍生物的效果。
• Alkylation, Acylation, and Cyclopropanation Reactions of<i>a</i>-Halo Carboxylic Acid Dianions
  作者：Carl R. Johnson、Thomas R. Bade

  DOI：10.1055/s-1982-29781

  日期：——
• COSMETIC SKIN CONDITIONING COMPOSITIONS
  申请人：UNILEVER PLC

  公开号：EP0980239A1

  公开（公告）日：2000-02-23
• Aminoacid Derivatives Containing a Disulfanyl Group in the form of Mixed Disulfanyl and Aminopeptidase N Inhibitors
  申请人：Roques Bernard

  公开号：US20090131509A1

  公开（公告）日：2009-05-21

  The invention relates to novel compounds of formula (I): H 2 N—CH(R 1 )—CH 2 —S—S—CH 2 —CH(R 2 )—COONH—R 5 , wherein R 1 is a hydrocarbon chain, phenyl or benzyl radical, methylene radical substituted by a 5 or 6 atom heterocycle; R 2 is a phenyl or benzyl radical, a 5 or 6 atom aromatic heterocycle, methylene group substituted by a 5 or 6 atom heterocycle; R 5 is a CH(R 3 )—COOR 4 radical, wherein R 3 is hydrogen, an OH or OR group, a saturated hydrocarbon group, a phenyl or benzyl radical and OR 4 is hydrophile ester, or 5 or 6 membered heterocycle comprising several heteroatoms selected from a group consisting of nitrogen, sulphur and oxygen, with at least two nitrogene atoms, wherein said heterocycle is substitutable by an alkyl C 1 -C 6 , phenyl or benzyl radical. The use of the inventive compounds in the form of drugs, a pharmaceutical composition comprising said compounds, a pharmaceutically acceptable excipient, the use in conjunction of at least one type of cannabinoid derivative for potentiating the analgesic and antidepressant effect of the novel compounds of formula (I) and/or morphine or the derivatives thereof are also disclosed.
• US4670579A
  申请人：——

  公开号：US4670579A

  公开（公告）日：1987-06-02