4-bromobenzyl 4-chlorobenzoate | 380336-33-4

• 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: 4-bromobenzyl 4-chlorobenzoate
• 英文别名: (4-bromophenyl)methyl 4-chlorobenzoate
• CAS: 380336-33-4
• 化学式: C₁₄H₁₀BrClO₂
• 分子量: 325.589
• InChiKey: DQFOGBGAQVRHCS-UHFFFAOYSA-N

物化性质

• 沸点：
  403.1±25.0 °C(Predicted)
• 密度：
  1.506±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 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-溴苄醇 、 4-氯苯甲醛 在 potassium cyanide 、 氧气 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以88%的产率得到4-bromobenzyl 4-chlorobenzoate
  参考文献：
  名称：

  Aghapour, Ghasem; Karimzadeh, Maryam, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2016, vol. 55B, # 8, p. 1013 - 1018

  摘要：

  DOI：

文献信息

• From methylarenes to esters: efficient oxidative Csp_³–H activation promoted by CuO decorated magnetic reduced graphene oxide
  作者：Dariush Khalili、Marzieh Rousta、Ali Khalafi-Nezhad、Edris Ebrahimi

  DOI：10.1039/d2nj00728b

  日期：——

  Magnetic reduced graphene oxide supported CuO (rGO/Fe3O4–CuO) as a heterogeneous catalyst in cross dehydrogenative coupling (CDC) reactions has been demonstrated for the synthesis of esters using methyl aromatics and aldehydes/benzyl alcohols as coupling partners. Various benzylic esters were prepared efficiently from cheap raw chemicals by employing tert-butyl hydroperoxide (TBHP) as a “green” oxidant

  磁性还原氧化石墨烯负载的 CuO (rGO/Fe 3 O 4 –CuO) 作为交叉脱氢偶联 (CDC) 反应中的非均相催化剂已被证明可用于使用甲基芳烃和醛/苯甲醇作为偶联伙伴来合成酯。通过使用叔丁基过氧化氢 (TBHP) 作为“绿色”氧化剂和四正丁基溴化铵 (TBAB)/四正丁基碘化铵 (TBAI) 作为添加剂，从廉价的原料化学品有效地制备了各种苄酯。由于该催化系统的多相性质，使用简单的过滤来分离催化剂。
• Dimethylbut-2-ynedioate mediated esterification of acids via sp3 C–N bond cleavage of benzylic tertiary amines
  作者：Hao Shen、Xing Lu、Ke-Zhi Jiang、Ke-Fang Yang、Yixin Lu、Zhan-Jiang Zheng、Guo-Qiao Lai、Li-Wen Xu

  DOI：10.1016/j.tet.2012.08.024

  日期：2012.10

  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.
• Aghapour, Ghasem; Karimzadeh, Maryam, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2016, vol. 55B, # 8, p. 1013 - 1018
  作者：Aghapour, Ghasem、Karimzadeh, Maryam

  DOI：——

  日期：——