N'-(4-chlorophenylmethylene)hydrazinecarboxylic acid tert-butyl ester | 57699-50-0

• 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: N'-(4-chlorophenylmethylene)hydrazinecarboxylic acid tert-butyl ester
• 英文别名: tert-butyl 2-(4-chlorobenzyl)hydrazinecarboxylate；3-(4-Chlorbenzyliden)-carbazinsaeure-tert-butylester；tert-butyl (2E)-2-(4-chlorobenzylidene)hydrazinecarboxylate；tert-butyl N-[(E)-(4-chlorophenyl)methylideneamino]carbamate
• CAS: 57699-50-0
• 化学式: C₁₂H₁₅ClN₂O₂
• 分子量: 254.716
• InChiKey: IHJSHLFIIBXUNW-RIYZIHGNSA-N

物化性质

• 熔点：
  170-171 °C
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  50.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N'-(4-chlorophenylmethylene)hydrazinecarboxylic acid tert-butyl ester 在 sodium cyanoborohydride 、 溶剂黄146 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以71%的产率得到N-(tert-butoxycarbonyl)-N'-(4-chlorobenzyl)hydrazine
  参考文献：
  名称：

  Design of Selective Peptidomimetic Agonists for the Human Orphan Receptor BRS-3

  摘要：

  New tool substances may help to unravel the physiological role of the human orphan receptor BRS-3 and its possible use as a drug target for the treatment of obesity and cancer. In continuation of our work on BRS-3, the solid- and solution-phase synthesis of a library of low molecular weight peptidomimetic agonists based on the recently developed short peptide agonist 4 is described. Functional potencies of the compounds were determined measuring calcium mobilization in a fluorometric imaging plate reader (FLIPR) assay. Focusing on the N-terminus, the D-Phe-Gln moiety of 4 was modified in a combinatorial. SAR-oriented medicinal chemistry approach. With the incorporation of N-arylated glycine and alanine building blocks azaglycine, piperazine, or piperidine and the synthesis of semicarbazides and semicarbazones, a number of highly potent and selective compounds with a reduced number of peptide bonds were obtained, which also should have enhanced metabolic stability.

  DOI：

  10.1021/jm0210921
• 作为产物：
  描述：

  二苯甲酮 、 4-氯苯甲醛 以 四氢呋喃 为溶剂， 反应 48.0h， 以82%的产率得到N'-(4-chlorophenylmethylene)hydrazinecarboxylic acid tert-butyl ester
  参考文献：
  名称：

  叔丁基苄氧基氨基甲酸酯的相转移催化氮杂-迈克尔加成反应至缺电子的烯烃。

  摘要：

  提出了将叔丁基苄氧基氨基甲酸酯高效相转移催化氮杂-迈克尔加成反应到各种缺电子烯烃中（90-99％）。

  DOI：

  10.1039/b800130h

文献信息

• Non-peptidic BRS-3 agonists
  申请人：Weber Dirk

  公开号：US20050171146A1

  公开（公告）日：2005-08-04

  Selectively BRS-3-agonistic compounds of formula I wherein A 1 , A 2 , A 3 , R 1 , R 2 , R 3 , Ar 1 , Ar 2 , Ar 3 , m and n have the meanings given in the description, and also pharmaceutical compositions containing these compounds and a process for the preparation of compounds of Formula I are described.

  本文描述了式I的选择性BRS-3激动剂化合物，其中A1、A2、A3、R1、R2、R3、Ar1、Ar2、Ar3、m和n具有描述中给出的含义，以及包含这些化合物的制药组合物和制备式I化合物的过程。
• Structure-directing interactions in the crystals of tertiary butyl carbazate based imines: A combined experimental and theoretical investigation
  作者：Muzzaffar A. Bhat、Insha Anis、Zainab M. Almarhoon、Sajad A. Bhat、Misba Jan、Manzoor A. Dar、Raymond J. Butcher

  DOI：10.1016/j.molstruc.2024.137724

  日期：2024.6

  [Display omitted]

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• Novel sulfenylated acylhydrazones, compositions containing them, methods of making them and their use
  申请人：ROHM AND HAAS COMPANY

  公开号：EP0172031B1

  公开（公告）日：1988-05-18
• US7244743B2
  申请人：——

  公开号：US7244743B2

  公开（公告）日：2007-07-17
• Phase-transfer catalytic aza-Michael addition of tert-butyl benzyloxycarbamate to electron-deficient olefins
  作者：Jihoon Lee、Mi-hyun Kim、Sang-sup Jew、Hyeung-geun Park、Byeong-Seon Jeong

  DOI：10.1039/b800130h

  日期：——

  A highly efficient phase-transfer catalytic aza-Michael addition of tert-butyl benzyloxycarbamate to a wide range of electron-deficient olefins is presented (90-99%).

  提出了将叔丁基苄氧基氨基甲酸酯高效相转移催化氮杂-迈克尔加成反应到各种缺电子烯烃中（90-99％）。