(3,4-dichlorophenyl)methyl chloroformate | 39545-41-0

• 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: (3,4-dichlorophenyl)methyl chloroformate
• 英文别名: 3,4-dichlorobenzyl chloroformate；(3,4-Dichlorophenyl)methyl carbonochloridate
• CAS: 39545-41-0
• 化学式: C₈H₅Cl₃O₂
• 分子量: 239.485
• InChiKey: IDHZJNADBIVPAC-UHFFFAOYSA-N

物化性质

• 沸点：
  293.2±30.0 °C(Predicted)
• 密度：
  1.487±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 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：

  (3,4-dichlorophenyl)methyl chloroformate 在 4-二甲氨基吡啶 、 sodium hydroxide 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 生成
  参考文献：
  名称：

  Dipeptidyl aspartyl fluoromethylketones as potent caspase inhibitors: SAR of the N-protecting group

  摘要：

  This article describes the synthesis and biological evaluation of a group of N-protected Val-Asp-fmk as caspase inhibitors. The protecting group was found to contribute to caspase-3 inhibiting activity, and compounds with a large group such as Cbz are more active than compounds with a small group such as Ac. Compounds with more hydrophobic protecting groups were found to be more active in cell apoptosis protection assays, probably due to increased cell permeability. MX1122,2,4-di-Cl-Cbz-Val-Aspfmk, is identified as a potent broad-spectrum caspase inhibitor and is selective for caspases versus other proteases, with good activity in the cell apoptosis protection assays as well as good efficacy in the mouse liver apoptosis model. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.027
• 作为产物：
  描述：

  光气 、 3,4-二氯苄醇 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 2.0h， 生成 (3,4-dichlorophenyl)methyl chloroformate
  参考文献：
  名称：

  WO2006/94003

  摘要：

  公开号：

文献信息

• Esters of phenalkyloxycarbonylamino acids
  申请人：Zoecon Corporation

  公开号：US04358606A1

  公开（公告）日：1982-11-09

  Novel esters of phenylalkyloxy- or phenylalkylthioacylamino acids and pyridylalkyloxy- or pyridylalkylthioacylamino acids, synthesis thereof, intermediates therefor, and the use of said esters for the control of weeds.

  苯基烷氧基或苯基烷硫氧基氨基酸和吡啶基烷氧基或吡啶基烷硫氧基氨基酸的新酯类化合物，其合成方法，中间体及其用途，以控制杂草。
• Synthesis and Antifungal Activity of Some 6-tert-butyl-8-chloro-2, 3-dimethylquinolin-4-ol Derivatives against Pyricularia oryae
  作者：Yue-Ming Fang、Rui-Rui Zhang、Zhong-Hua Shen、Cheng-Xia Tan、Jian-Quan Weng、Tian-Ming Xu、Xing-Hai Liu、Hong-Ying Huang、Hong-Ke Wu

  DOI：10.2174/1570180815666180313121735

  日期：2018.12

  Background: A series of new 6-(tert-butyl)-8-chloro-2,3-dimethyl quinoline derivatives were designed and synthesized. Results: The primarily antifungal assay results indicated that all of them exhibited excellent protective efficacy (100%) against Pyricularia oryae at 100 ppm, except compound 2m (90%). Among them, the compound 2p (6-(tert-butyl)-8-chloro-2,3-dimethylquinolin-4-yl(2-chloro-5- (trif

  背景：设计并合成了一系列新的6-（叔丁基）-8-氯-2,3-二甲基喹啉衍生物。 结果：主要的抗真菌分析结果表明，除化合物2m（90％）外，所有化合物均在100 ppm时对稻瘟病菌表现出极好的保护效果（100％）。其中，化合物2p（6-（叔丁基）-8-氯-2,3-二甲基喹啉-4-基（2-氯-5-（三氟甲基）苄基）碳酸酯）对稻瘟病菌的杀真菌效果最高。 ，即使是10 ppm。 结论：构效关系表明，当苯环的2位被F或Cl取代时，该化合物对稻瘟病菌具有良好的抗真菌活性。
• Bezobrazov,Yu.N. et al., Journal of Organic Chemistry USSR (English Translation), 1971, vol. 7, # 7, p. 2373 - 2376
  作者：Bezobrazov,Yu.N. et al.

  DOI：——

  日期：——
• 4-Amino cyclohexylglycine analogues as potent dipeptidyl peptidase IV inhibitors
  作者：Emma R. Parmee、Jiafang He、Anthony Mastracchio、Scott D. Edmondson、Larry Colwell、George Eiermann、William P. Feeney、Bahanu Habulihaz、Huaibing He、Ruth Kilburn、Barbara Leiting、Kathryn Lyons、Frank Marsilio、Reshma A. Patel、Aleksandr Petrov、Jerry Di Salvo、Joseph K. Wu、Nancy A. Thornberry、Ann E. Weber

  DOI：10.1016/j.bmcl.2003.10.016

  日期：2004.1

  Substituted 4-amino cyclohexylglycine analogues were evaluated for DP-IV inhibitory properties. Bis-sulfonamide 15e was an extremely potent 2.6 nM inhibitor of the enzyme with excellent selectivity over all counterscreens. 2,4-Difluorobenzenesulfonamide 15b and 1-naphthyl amide 16b, however, combined an acceptable in vitro profile with good pharmacokinetic properties in the rat, and 15b was orally efficacious at 3 mpk in an OGTT in lean mice. (C) 2003 Elsevier Ltd. All rights reserved.
• NOGUTI, XIROSI;ISIKURI, YUKIO;KATO, TOSIRO;YAMAMOTO, SIGEHO;TAKAXASI, ATS+
  作者：NOGUTI, XIROSI、ISIKURI, YUKIO、KATO, TOSIRO、YAMAMOTO, SIGEHO、TAKAXASI, ATS+

  DOI：——

  日期：——