benzyl chloromethyl adipate | 87343-30-4

• 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: benzyl chloromethyl adipate
• 英文别名: Hexanedioic acid, chloromethyl phenylmethyl ester；1-O-benzyl 6-O-(chloromethyl) hexanedioate
• CAS: 87343-30-4
• 化学式: C₁₄H₁₇ClO₄
• 分子量: 284.74
• InChiKey: TZGBCSIGRNIPLC-UHFFFAOYSA-N

物化性质

• 沸点：
  363.2±22.0 °C(Predicted)
• 密度：
  1.188±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  19
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  benzyl chloromethyl adipate 在 palladium on activated charcoal 1,4-环己二烯 、 三乙胺 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 17.0h， 生成 6-[(5-Fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-6-oxohexanoic acid
  参考文献：
  名称：

  Synthesis and Reactivity of 5-Fluorouracil/Cytarabine Mutual Prodrugs

  摘要：

  Two mutual prodrugs, in which two different anti-cancer drugs are attached to the same molecule via labile linkages, are synthesized and examined kinetically. One of the mutual prodrugs loses a drug component under physiological conditions within an hour, but the other mutual prodrug (having a longer spacer between the two drugs) is stable to chemical degradation even at higher pH values. Thus, enzymatic hydrolysis alone will release the two anti-cancer drugs. The potential value of anti-cancer mutual prodrugs is discussed.

  DOI：

  10.1021/jo971076p
• 作为产物：
  描述：

  己二酸单苄酯 在 磺酰氯 、 cis-1,2,3,6-tetrahydrophthalic acid 、 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 benzyl chloromethyl adipate
  参考文献：
  名称：

  Synthesis and Reactivity of 5-Fluorouracil/Cytarabine Mutual Prodrugs

  摘要：

  Two mutual prodrugs, in which two different anti-cancer drugs are attached to the same molecule via labile linkages, are synthesized and examined kinetically. One of the mutual prodrugs loses a drug component under physiological conditions within an hour, but the other mutual prodrug (having a longer spacer between the two drugs) is stable to chemical degradation even at higher pH values. Thus, enzymatic hydrolysis alone will release the two anti-cancer drugs. The potential value of anti-cancer mutual prodrugs is discussed.

  DOI：

  10.1021/jo971076p

文献信息

• 1,1-Alkanediol dicarboxylate linked antibacterial agents
  申请人：Pfizer, Inc.

  公开号：US04457924A1

  公开（公告）日：1984-07-03

  Useful antibacterial agents in which a penicillin and/or a beta-lactamase inhibitor are linked via 1,1-alkanediol dicarboxylates are of the formula ##STR1## where A is the residue of certain dicarboxyic acids, R.sup.3 is H or (C.sub.1 -C.sub.3), n is zero or 1 such that when n is zero R is P or B and R.sup.1 is the residue of certain esters, H or a salt thereof; and when n is 1, one of R and R.sup.1 is P and the other is B, and P is ##STR2## where R.sup.2 is H or certain acyl groups, and B is the residue of a beta-lactamase inhibiting carboxylic acid; a method for their use, pharmaceutical compositions thereof and intermediates useful in their production.

  有用的抗菌剂，其中通过1,1-烷二醇二羧酸酯连接了青霉素和/或β-内酰胺酶抑制剂，其化学公式为##STR1##，其中A是某些二羧酸的残基，R.sup.3是H或(C.sub.1-C.sub.3)，n是0或1，当n为0时，R是P或B，R.sup.1是某些酯的残基，H或其盐；当n为1时，R和R.sup.1中的一个为P，另一个为B，P为##STR2##，其中R.sup.2是H或某些酰基团，B是β-内酰胺酶抑制羧酸的残基；其使用方法、药物组合物及其生产中有用的中间体。
• Bis-esters of dicarboxylic acids with amoxicillin and certain
  申请人：Pfizer Inc.

  公开号：US04462934A1

  公开（公告）日：1984-07-31

  Antibacterial bis-esters of 1,4-cyclohexanedicarboxylic acids and alkane dicarboxylic acids wherein the ester moieties are derived from different alcohols; one alcohol being hydroxymethylpenicillanate 1,1-dioxide, or the 6-beta-hydroxymethyl or the 6-alpha-aminomethyl derivative thereof; and the other being 6-[D-(2-amino-2-(p-hydroxyphenyl)acetamido)]penicillanic acid (amoxicillin); and pharmaceutically acceptable salts thereof; a method for the use of said esters and their salts, and methods for their preparation.

  1,4-环己二羧酸和烷二羧酸的抗菌双酯，其中酯基来源于不同的醇类；一种醇为羟甲基青霉素酸1,1-二氧化物，或其6-β-羟甲基或6-α-氨基甲基衍生物；另一种为6-[D-(2-氨基-2-(对羟基苯基)乙酰基)]青霉素酸（阿莫西林）；及其药用可接受盐；一种使用所述酯及其盐的方法，以及其制备方法。
• Bis-esters of dicarboxylic acids with amoxicillin and certain hydroxymethylpenicillanate 1,1-dioxides
  申请人：PFIZER INC.

  公开号：EP0121383A1

  公开（公告）日：1984-10-10

  Antibacterial agents of the formula:- and Z is 1,4-cyclohexylene or alkylene having from 1 to 6 carbon atoms; their pharmaceutically acceptable salts, and certain amino-protected intermediates therefore.

  配方中的抗菌剂：- 和 Z 是 1，4-环己烯或具有 1 至 6 个碳原子的亚烷基；它们的药学上可接受的盐，以及某些氨基保护的中间体。
• JASYS, V. J.;KEILOGG, M. S.
  作者：JASYS, V. J.、KEILOGG, M. S.

  DOI：——

  日期：——
• US4457924A
  申请人：——

  公开号：US4457924A

  公开（公告）日：1984-07-03