2-[[2-(Trifluoromethyl)phenyl]methoxy]acetyl chloride | 1214741-88-4

• 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: 2-[[2-(Trifluoromethyl)phenyl]methoxy]acetyl chloride
• CAS: 1214741-88-4
• 化学式: C₁₀H₈ClF₃O₂
• 分子量: 252.621
• InChiKey: FXENVEIGHLSPLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(4-aminophenyl)-1,3-benzoxazole-5-carbonitrile 、 2-[[2-(Trifluoromethyl)phenyl]methoxy]acetyl chloride 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-(4-(5-cyanobenzo[d]oxazol-2-yl)phenyl)-2-(2-(trifluoromethyl)benzyloxy)acetamide
  参考文献：
  名称：

  2-Arylbenzoxazoles as CETP inhibitors: Substitution and modification of the α-alkoxyamide moiety

  摘要：

  The development of a series of 2-arylbenzoxazole alpha-alkoxyamide and beta-alkoxyamine inhibitors of cholesteryl ester transfer protein (CETP) is described. Highly fluorinated alpha-alkoxyamides proved to be potent inhibitors of CETP in vitro, and the highly fluorinated 2-arylbenzoxazole beta-alkoxyamine 4 showed a desirable combination of in vitro potency (IC(50) = 151 nM) and oral bioavailability in the mouse. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.046
• 作为产物：
  描述：

  2-[[2-(Trifluoromethyl)phenyl]methoxy]acetic acid 在 草酰氯 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-[[2-(Trifluoromethyl)phenyl]methoxy]acetyl chloride
  参考文献：
  名称：

  2-Arylbenzoxazoles as CETP inhibitors: Substitution and modification of the α-alkoxyamide moiety

  摘要：

  The development of a series of 2-arylbenzoxazole alpha-alkoxyamide and beta-alkoxyamine inhibitors of cholesteryl ester transfer protein (CETP) is described. Highly fluorinated alpha-alkoxyamides proved to be potent inhibitors of CETP in vitro, and the highly fluorinated 2-arylbenzoxazole beta-alkoxyamine 4 showed a desirable combination of in vitro potency (IC(50) = 151 nM) and oral bioavailability in the mouse. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.046

文献信息

• Enantiomeric enrichment of cyanohydrins
  申请人：BEND RESEARCH, INC.

  公开号：EP0561535A2

  公开（公告）日：1993-09-22

  A method of enantiomerically enriching chiral cyanohydrins is disclosed that involves selective cleavage of the unwanted enantiomer into its cleavage products HCN and the corresponding aldehyde or ketone by use of an enantioselective dehydrocyanation catalyst, coupled with simultaneous removal of at least one of the dehydrocyanation products.

  本发明公开了一种对映体富集手性氰醇的方法，包括使用对映体选择性脱氢氰化催化剂，将不需要的对映体选择性裂解为其裂解产物 HCN 和相应的醛或酮，同时去除至少一种脱氢氰化产物。
• Thermostable omega-transaminases
  申请人：Pannuri Sachin

  公开号：US20060228788A1

  公开（公告）日：2006-10-12

  Thermostable omega-transaminases, particularly thermostable omega-transaminases which have a high reaction rate and which are tolerant to high concentrations of donor amine, can be used to enrich enantiomerically a mixture of chiral amines or to synthesize stereoselectively one of a pair of chiral amines in which the amino group is bound to a non-terminal, chirally substituted, carbon atom.

  恒温欧米伽-反式胺酶，尤其是反应速度快、耐受高浓度供体胺的恒温欧米伽-反式胺酶，可用于富集手性胺混合物的对映体，或立体选择性合成一对手性胺中的一个，其中的氨基与非末端的手性取代碳原子结合。
• Enantiomeric enrichment and stereoselective synthesis of chiral amines
  申请人：CELGENE CORPORATION

  公开号：EP0404146B1

  公开（公告）日：1996-03-20
• THERMOSTABLE OMEGA-TRANSAMINASES
  申请人：Pannuri Sachin

  公开号：US20070134770A1

  公开（公告）日：2007-06-14

  Thermostable omega-transaminases, particularly thermostable omega-transaminases which have a high reaction rate and which are tolerant to high concentrations of donor amine, can be used to enrich enantiomerically a mixture of chiral amines or to synthesize stereoselectively one of a pair of chiral amines in which the amino group is bound to a non-terminal, chirally substituted, carbon atom.
• Thermostable Omega-Transaminases
  申请人：Pannuri Sachin

  公开号：US20070134772A1

  公开（公告）日：2007-06-14

  Thermostable omega-transaminases, particularly thermostable omega-transaminases which have a high reaction rate and which are tolerant to high concentrations of donor amine, can be used to enrich enantiomerically a mixture of chiral amines or to synthesize stereoselectively one of a pair of chiral amines in which the amino group is bound to a non-terminal, chirally substituted, carbon atom.