4-氯-2-甲基-4-氧代丁酸甲酯 | 59700-83-3

• 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-氯-2-甲基-4-氧代丁酸甲酯
• 英文名称: 3-Carbomethoxybutyryl chloride
• 英文别名: Methyl 4-chloro-2-methyl-4-oxobutanoate
• CAS: 59700-83-3
• 化学式: C₆H₉ClO₃
• 分子量: 164.589
• InChiKey: XUMTXUCNMLJENC-UHFFFAOYSA-N

物化性质

• 沸点：
  200.4±23.0 °C(Predicted)
• 密度：
  1.176±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-氯-2-甲基-4-氧代丁酸甲酯 在 吡啶 、 盐酸 、 sodium hydroxide 、 sodium carbonate 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 64.0h， 生成 methyl 5-n-butyloxycarbonylamino-4-oxo-2-methyl-6-phenylhexanoate
  参考文献：
  名称：

  Derivatives of the potent angiotensin converting enzyme inhibitor 5(S)-benzamido-4-oxo-6-phenylhexanoyl-L-proline: effect of changes at postions 2 and 5 of the hexanoic acid portion

  摘要：

  Several derivatives of the potent angiotensin converting enzyme inhibitor 5(S)-benzamido-4-oxo-6-phenylhexanoyl-L-proline (1) were synthesized and tested for converting enzyme inhibition activity and blood pressure lowering effects in rats. One compound, 5(S)-benzamido-2(R)-methyl-4-oxo-6-phenylhexanoyl-L-proline (2a), had and I50 against angiotensin converting enzyme of 1.0 x 10(-9) M and is the most potent inhibitor prepared thus far in this class of compounds. Testing of 2a orally at 30 mg/kg for inhibition of the angiotensin I induced blood pressure increase in conscious normotensive rats gave 100% inhibition that required 143 min before the angiotensin I blood pressure response returned to 70% of the pretreatment control response. In the conscious renal hypertensive rat, 2a given orally at a dose of 3 mg/kg caused a lowering of blood pressure that reached its maximum of 40 mmHg 8 h following drug administration.

  DOI：

  10.1021/jm00353a005
• 作为产物：
  描述：

  2-甲基琥珀酸氢甲酯 在 1,1-二氯甲醚 作用下， 反应 12.0h， 生成 4-氯-2-甲基-4-氧代丁酸甲酯
  参考文献：
  名称：

  Synthesis ofω-Substituted Alkanethiols and (Bromomethyl)methylthiomalonates

  摘要：

  Several multifunctional derivatives of methylthiomalonic acid (= 2-(thiocarboxy)acetic acid), i.e. 20a,b, 21, 22a,b, and 24, were prepared from thiols bearing a functionalized head group, i.e. from 9a,b, 12, and 16d,f (Schemes 4 and 5). The association constants of the two dithio podands 8b and 11 with K+ were determined.

  DOI：

  10.1002/1522-2675(20010321)84:3<678::aid-hlca678>3.0.co;2-y

文献信息

• Amides of 4-oxo-5-amidohexanoic acid derivatives
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0045161A1

  公开（公告）日：1982-02-03

  The invention concerns novel amide derivatives of the formula: wherein R1, R2, R3, R4, R5, R6, R10, R11 and R16 are various substituents defined hereinafter, Y is carbonyl, thiocarbonyl, sulphonyl or amido, X is carbonyl, hydroxymethylene, thiocarbonyl or oximinomethylene and Q is carbonyl or methylene, or a salt thereof, which are inhibitors of angiotensin converting enzyme and may be used for example, in the treatment of hypertension. The invention also provides pharmaceutical compositions of and processes for the manufacture of the novel amide derivatives.

  本发明涉及式中的新型酰胺衍生物： 其中 R1、R2、R3、R4、R5、R6、R10、R11 和 R16 是下文定义的各种取代基，Y 是羰基、硫代羰基、磺酰基或氨基，X 是羰基、羟基亚甲基、硫代羰基或氧亚氨基亚甲基，Q 是羰基或亚甲基，或其盐，它们是血管紧张素转换酶的抑制剂，可用于治疗高血压等。本发明还提供了新型酰胺衍生物的药物组合物和生产工艺。
• Amide derivatives
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0053017A1

  公开（公告）日：1982-06-02

  The invention concerns novel amide derivatives of the formula:- wherein R1, R2, R3, R4, R5, R6, R10, R" and R'6 are various substituents defined hereinafter, Y is carbonyl, thiocarbonyl, sulphonyl or amido, X is carbonyl, hydroxymethylene, thiocarbonyl or oximinomethylene and Q is carbonyl or methylene, or a salt thereof, which are inhibitors of angiotensin converting enzyme and may be used for example, in the treatment of hypertension. The invention also provides pharmaceutical compositions of and processes for the manufacture of the novel amide derivatives

  本发明涉及式中 R1、R2、R3、R4、R5、R6、R10、R "和 R'6 为下文定义的各种取代基，Y 为羰基、硫代羰基、磺酰基或氨基，X 为羰基、羟基亚甲基、硫代羰基或氧亚氨基亚甲基，Q 为羰基或亚甲基的新型酰胺衍生物或其盐，它们是血管紧张素转换酶的抑制剂，可用于治疗高血压等。 本发明还提供了新型酰胺衍生物的药物组合物和生产工艺。
• Synthesis of Analogs of δ-Aminolevulinic Acid^*,1
  作者：Charles C. Price、T. Padmanathan

  DOI：10.1021/jo01017a514

  日期：1965.6
• RANIBAI, P.;GHATGE, B. B.;PATIL, B. B.;BHATTACHARYYA, S. C., INDIAN J. CHEM., 25,(1986) N 10, 1006-1013
  作者：RANIBAI, P.、GHATGE, B. B.、PATIL, B. B.、BHATTACHARYYA, S. C.

  DOI：——

  日期：——
• US4329473A
  申请人：——

  公开号：US4329473A

  公开（公告）日：1982-05-11