Mono-n-butylphenylmalonat | 31037-29-3

• 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: Mono-n-butylphenylmalonat
• 英文别名: phenylmalonic acid monobutyl ester；3-Butoxy-3-oxo-2-phenylpropanoic acid
• CAS: 31037-29-3
• 化学式: C₁₃H₁₆O₄
• 分子量: 236.268
• InChiKey: XIQMVSHUFUZTST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-氨基青霉烷酸 、 Mono-n-butylphenylmalonat 生成 6β-((Ξ)-2-butoxycarbonyl-2-phenyl-acetylamino)-penicillanic acid
  参考文献：
  名称：

  Preparation, hydrolysis, and oral absorption of .alpha.-carboxy esters of carbenicillin

  摘要：

  Twelve alpha-carboxy esters of carbenicillin, a parenteral broad spectrum semisynthetic penicillin, were synthesized and examined as potential oral carbenicillin derivatives. The rates at which the esters were hydrolyzed in vitro to carbenicillin by animal and human tissues were compared and the carbenicillin serum levels arising after oral administration of the esters were measured in squirrel monkeys and human volunteer subjects. The alpha-carboxyphenyl ester of carbenicillin [carfecillin (British Pharmacopoeia approved name), BRL 3475] WAS SELECTED FOR FURTHER STUDY AND IS PRESENTLY UNDERGOING CLInical trial.

  DOI：

  10.1021/jm00236a013

文献信息

• PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS
  申请人：Merck & Co., Inc.

  公开号：EP2049124A2

  公开（公告）日：2009-04-22
• DECARBOXYLATING BLOCK COPOLYMERS
  申请人：Dogra Kalindi

  公开号：US20100273931A1

  公开（公告）日：2010-10-28

  Linear block copolymers that have at least one hydrophilic block and at least one hydrophobic block, wherein the hydrophilic block of the copolymer has at least one carboxylic acid functionality (or salt thereof) that can readily decarboxylate. These copolymers are useful as binders and/or dispersants in inkjet inks.
• US4279834A
  申请人：——

  公开号：US4279834A

  公开（公告）日：1981-07-21
• US4354981A
  申请人：——

  公开号：US4354981A

  公开（公告）日：1982-10-19
• US8362106B2
  申请人：——

  公开号：US8362106B2

  公开（公告）日：2013-01-29