(2,4-Dichlorophenyl)methyl carbonochloridate | 39545-38-5

• 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: (2,4-Dichlorophenyl)methyl carbonochloridate
• CAS: 39545-38-5
• 化学式: C₈H₅Cl₃O₂
• 分子量: 239.485
• InChiKey: ATEXJUMWJUATCP-UHFFFAOYSA-N

物化性质

• 沸点：
  290.9±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)：
  4.2
• 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：

  (2,4-Dichlorophenyl)methyl carbonochloridate 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 、 2,4-二氯苄醇 在 N,N-二异丙基乙胺 作用下， 以 乙醚 为溶剂， 生成 (2,4-Dichlorophenyl)methyl carbonochloridate
  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

文献信息

• 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。
• 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：——
• Dipeptidyl aspartyl fluoromethylketones as potent caspase inhibitors: SAR of the N-protecting group
  作者：Sui Xiong Cai、Lufeng Guan、Shaojuan Jia、Yan Wang、Wu Yang、Ben Tseng、John Drewe

  DOI：10.1016/j.bmcl.2004.08.027

  日期：2004.11

  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.