Isobuttersaeure-(2-chlor-aethylester) | 33662-96-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Isobuttersaeure-(2-chlor-aethylester)
• 英文别名: 2-Methyl-propionsaeure-(2-chlor-aethyl)-ester；Isobuttersaeure-2-chlorethylester；isobutyric acid-(2-chloro-ethyl ester)；2-methyl-propanoic acid, 2-chloroethyl ester；Propanoic acid, 2-methyl, 2-chloroethyl ester；2-chloroethyl 2-methylpropanoate
• CAS: 33662-96-3
• 化学式: C₆H₁₁ClO₂
• mdl: MFCD19232163
• 分子量: 150.605
• InChiKey: MONYEUFMPZBBMF-UHFFFAOYSA-N

物化性质

• 沸点：
  207.14°C (rough estimate)
• 密度：
  1.0620
• 保留指数：
  949

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Isobuttersaeure-(2-chlor-aethylester) 、 三甲胺 在 苯 作用下， 生成 (2-isobutyryloxy-ethyl)-trimethyl-ammonium; chloride
  参考文献：
  名称：

  Glick, Journal of Biological Chemistry, 1938, vol. 125, p. 729,733

  摘要：

  DOI：
• 作为产物：
  描述：

  2-isopropylidene-[1,3]dioxolane 在 盐酸 作用下， 生成 Isobuttersaeure-(2-chlor-aethylester)
  参考文献：
  名称：

  Ketene Acetals. XXX. Alkylation of Dimethylketene Dimethylacetal

  摘要：

  DOI：

  10.1021/ja01112a033

文献信息

• Oxidative transformation of 1,3-dioxacycloalkanes induced by chlorine dioxide
  作者：A. R. Abdrakhmanova、N. N. Kabal’nova、L. Z. Rol’nik、G. G. Yagafarova、V. V. Shereshovets

  DOI：10.1007/s11172-005-0030-0

  日期：2004.8

  The products and kinetic regularities of the reactions of 1,3-dioxacycloalkanes with chlorine dioxide were studied. The effects of the nature of solvent and the temperature on the reaction rate were considered and the activation parameters were determined.

  研究了1,3-二氧杂环烷烃与二氧化氯反应的产物和动力学规律。考虑了溶剂性质和温度对反应速率的影响，并确定了活化参数。
• PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE
  申请人：Gangakhedkar Archana

  公开号：US20100048651A1

  公开（公告）日：2010-02-25

  Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions comprising prodrugs of methyl hydrogen fumarate, and methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof for treating diseases such as psoriasis, asthma, multiple sclerosis, inflammatory bowel disease, and arthritis are disclosed.

  本发明公开了甲基氢富马酸的前药、包含甲基氢富马酸前药的药物组合物，以及利用甲基氢富马酸前药和药物组合物治疗牛皮癣、哮喘、多发性硬化、炎症性肠病和关节炎等疾病的方法。
• SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD
  申请人：Cheng T. W. Peter

  公开号：US20070287713A1

  公开（公告）日：2007-12-13

  wherein Z 1 is (CH 2 ) q or C═O; Z 2 is (CH 2 ) p or C═O; D is —CH═ or C═O or (CH 2 ) m where m is 0, 1, 2 or 3; n=0, 1 or 2; p=1 or 2; q=0, 1 or 2; Q is C or N; A is (CH 2 ) x where x is 1 to 5, or A is (CH 2 ) x 1 , where x 1 is 1 to 5 with an alkenyl bond or an alkynyl bond embedded anywhere in the chain, or A is —(CH 2 ) x 2 —O—(CH 2 ) x 3 — where x 2 is 0 to 5 and x 3 is 0 to 5, provided that at least one of x 2 and x 3 is other than 0; B is a bond or is (CH 2 ) x 4 where x 4 is 1 to 5; X is CH or N; X 2 is C, N, O or S; X 3 is C, N, O or S; X 4 is C, N, O or S; X 5 is C, N, O or S; X 6 is C, N, O or S; provided that at least one of X 2 , X 3 , X 4 X 5 and X 6 is N; and at least one of X 2 , X 3 , X 4 X 5 and X 6 is C. R 1 is H or alkyl; R 2 is H, alkyl, alkoxy, halogen, amino, substituted amino or cyano; R 2a , R 2b and R 2c may be the same or different and are selected from H, alkyl, alkoxy, halogen, amino, substituted amino or cyano; and R 3 , E, Z and Y are as defined herein.

  其中Z1为(CH2)q或C═O；Z2为(CH2)p或C═O；D为—CH═或C═O或(CH2)m，其中m为0、1、2或3；n=0、1或2；p=1或2；q=0、1或2；Q为C或N；A为(CH2)x，其中x为1到5，或A为(CH2)x1，其中x1为1到5，具有烯丙基键或炔基键嵌入链中的任何位置，或A为—(CH2)x2—O—(CH2)x3—，其中x2为0到5，x3为0到5，前提是x2和x3中至少有一个不为0；B为键或(CH2)x4，其中x4为1到5；X为CH或N；X2、X3、X4、X5和X6为C、N、O或S；前提是X2、X3、X4、X5和X6中至少有一个为N；并且X2、X3、X4、X5和X6中至少有一个为C。R1为H或烷基；R2为H、烷基、烷氧基、卤素、氨基、取代氨基或氰基；R2a、R2b和R2c可以相同也可以不同，选择自H、烷基、烷氧基、卤素、氨基、取代氨基或氰基；而R3、E、Z和Y的定义如前所述。
• METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF
  申请人：Gangakhedkar Archana

  公开号：US20120095003A1

  公开（公告）日：2012-04-19

  Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions comprising prodrugs of methyl hydrogen fumarate, and methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof for treating diseases such as psoriasis, asthma, multiple sclerosis, inflammatory bowel disease, and arthritis are disclosed.

  本发明涉及甲基氢富马酸的前药、包含甲基氢富马酸前药的制药组合物以及使用甲基氢富马酸前药和制药组合物治疗诸如银屑病、哮喘、多发性硬化症、炎症性肠病和关节炎等疾病的方法。
• Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use
  申请人：XenoPort, Inc.

  公开号：US08148414B2

  公开（公告）日：2012-04-03

  Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions comprising prodrugs of methyl hydrogen fumarate, and methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof for treating diseases such as psoriasis, asthma, multiple sclerosis, inflammatory bowel disease, and arthritis are disclosed.

  本发明涉及甲基氢富马酸的前药、包含甲基氢富马酸前药的制剂，以及使用甲基氢富马酸前药和制剂治疗诸如牛皮癣、哮喘、多发性硬化症、炎症性肠病和关节炎等疾病的方法。