4-bromobenzyl stearate | 1401317-29-0

• 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: 4-bromobenzyl stearate
• 英文别名: (4-Bromophenyl)methyl octadecanoate
• CAS: 1401317-29-0
• 化学式: C₂₅H₄₁BrO₂
• 分子量: 453.503
• InChiKey: NTTQQQSVERQOER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  28
• 可旋转键数：
  19
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-溴-N,N-二甲基苄胺 、 丁炔二酸二甲酯 、 硬脂酸 以 二氯甲烷 为溶剂， 反应 14.0h， 以55%的产率得到4-bromobenzyl stearate
  参考文献：
  名称：

  Dimethylbut-2-ynedioate mediated esterification of acids via sp3 C–N bond cleavage of benzylic tertiary amines

  摘要：

  A straightforward synthetic transformation of tertiary amines to the esterification of equimolar amounts of acids was demonstrated in this manuscript. The present protocol can be regarded as a straightforward synthetic transformation of tertiary amines to the esterification of equimolar amounts of acid. Moreover, the reaction is fundamentally new chemistry for the sp(3) C-N bond cleavage coupled with esterification. The esterification reaction conditions are very mild and functional group-tolerated, such as hydrosilanes, alcohols, phenol, and amino acids. A mechanism is proposed in which the tertiary amine reacts with dimethyl but-2-ynedioate to form zwitterionic salt, and then the zwitterionic intermediate subsequently accept hydrogen to assist the nucleophilic attack of oxygen atom of carboxyl group at the benzyl group of tertiary amine, while a separate reaction pathway leads to esterification. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.08.024

文献信息

• Thermochromic coloring color-memory composition and thermochromic coloring color-memory microcapsule pigment containing the same
  申请人：Ono Yoshiaki

  公开号：US20060112851A1

  公开（公告）日：2006-06-01

  A thermochromic coloring color-memory composition comprising a homogeneous solubilized mixture of (A) an electron donative coloring organic compound, (B) an electron accepting compound and (C) a compound represented by the specific formula as a reaction medium which controls color reactions of the components (A) and (B).

  一种热致变色着色-颜色记忆组合物，由以下物质的均相溶解混合物组成：(A) 一种电子供体着色有机化合物；(B) 一种电子受体化合物；(C) 一种由特定式子表示的化合物，作为反应介质，可控制组分(A)和(B)的颜色反应。
• Reversible thermochromic composition and microcapsules containing the same
  申请人：THE PILOT INK CO., LTD.

  公开号：EP1657073B1

  公开（公告）日：2008-02-27
• US7494537B2
  申请人：——

  公开号：US7494537B2

  公开（公告）日：2009-02-24