(Z)-3-bromoacrylic acid benzyl ester | 40559-99-7

• 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: (Z)-3-bromoacrylic acid benzyl ester
• 英文别名: benzyl (2Z)-3-bromoacrylate；(Z)-Benzyl 3-bromoacrylate；benzyl (Z)-3-bromoprop-2-enoate
• CAS: 40559-99-7
• 化学式: C₁₀H₉BrO₂
• 分子量: 241.084
• InChiKey: NLHQYJXJHUQQQQ-SREVYHEPSA-N

物化性质

• 沸点：
  290.9±23.0 °C(Predicted)
• 密度：
  1.456±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 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：

  (Z)-3-bromoacrylic acid benzyl ester 在 bis(1,5-cyclooctadiene)nickel (0) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以100%的产率得到dibenzyl trans,trans-muconate
  参考文献：
  名称：

  Reaction of aryl and vinyl halides with zerovalent nickel - preparative aspects and the synthesis of alnusone

  摘要：

  DOI：

  10.1021/ja00411a034
• 作为产物：
  描述：

  丙炔酸苄酯 在 aluminum (III) chloride 、 sodium bromide 、 水 作用下， 以 乙腈 、 叔丁醇 为溶剂， 以94%的产率得到(Z)-3-bromoacrylic acid benzyl ester
  参考文献：
  名称：

  AlCl3–NaI(NaBr)–t-BuOH: mild, chemo- and stereoselective reagents for hydrohalogenation of propiolic derivatives

  摘要：

  (Z)-beta-lodo-propenamides and -beta-iodo-propenoic esters were selectively prepared in high yields, at room temperature, through reaction of 2-propynamides and 2-propynoic esters, respectively, with AlCl3 and Nal in the presence of t-BuOH in dichloromethane. These experimental conditions are compatible with the presence of acid sensitive acetal groups. Alternative use of EtOH or H2O in place of t-BuOH was investigated. (Z)-Bromo-propenamides and corresponding esters were prepared according to a similar procedure using sodium bromide in refluxing acetonitrile. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2009.08.032

文献信息

• [EN] COMPOUNDS AND METHODS FOR TREATING HIV<br/>[FR] COMPOSÉS ET PROCÉDÉS DE TRAITEMENT DU VIH
  申请人：VIIV HEALTHCARE UK LTD

  公开号：WO2014009794A1

  公开（公告）日：2014-01-16

  Provided are compounds of formula II and pharmaceutically acceptable salts thereof, their pharmaceutical compositions, their methods of preparation, and their use for treating viral infections mediated by a member of the retrovirus family of viruses such as the Human Immunodeficiency Virus (HIV). (Formula II)

  提供了公式II的化合物及其药用盐，它们的药物组合物，它们的制备方法，以及它们用于治疗由逆转录病毒家族成员介导的病毒感染，如人类免疫缺陷病毒（HIV）的用途。
• COMPOUNDS AND METHODS FOR TREATING HIV
  申请人：VIIV HEALTHCARE UK LIMITED

  公开号：US20150191469A1

  公开（公告）日：2015-07-09

  Provided are compounds and pharmaceutically acceptable salts thereof, their pharmaceutical compositions, their methods of preparation, and their use for treating viral infections mediated by a member of the retrovirus family of viruses such as the Human Immunodeficiency Virus (HIV).

  提供了化合物及其医药上可接受的盐、它们的药物组合物、它们的制备方法以及它们用于治疗由反转录病毒家族成员介导的病毒感染，如人类免疫缺陷病毒（HIV）。
• Somatostatin-dopamine chimeric analogs
  申请人：Culler Michael D.

  公开号：US20090275501A1

  公开（公告）日：2009-11-05

  Disclosed is a series of somatostatin-dopamine chimeric analogs which retain both somatostatin and dopamine activity in vivo. An example is: 6-n-propyl-8β-ergolinglmethylthioacetyl-D-Phe-c(Cys-Tyr-D-Trp-Lys-Abu-Cys)-Thr-NH 2
• Somatostatin-Dopamine Chimeric analogs
  申请人：Culler Michael D.

  公开号：US20100179304A1

  公开（公告）日：2010-07-15

  Disclosed is a series of somatostatin-dopamine chimeric analogs which retain both somatostatin and dopamine activity in vivo. An example is: 6-n-propyl-8β-ergolinglmethylthioacetyl-D-Phe-c(Cys-Tyr-D-Trp-Lys-Abu-Cys)-Thr-NH 2
• US9163023B2
  申请人：——

  公开号：US9163023B2

  公开（公告）日：2015-10-20