2-chloroethyl chloroformate | 73338-81-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-chloroethyl chloroformate
• 英文别名: tert-butyl-oxalamide；Oxalsaeure-amid-tert.-butylamid；tert-Butyl-oxalamid；N-tert.-Butyl-oxamid；N-tert-butylethanediamide；N'-tert-butyloxamide
• CAS: 73338-81-5
• 化学式: C₆H₁₂N₂O₂
• mdl: MFCD01207734
• 分子量: 144.173
• InChiKey: HSZAKAGEZPRONJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  72.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-chloroethyl chloroformate 在 溶剂黄146 作用下， 以 乙酸乙酯 、 异丙醇 为溶剂， 反应 0.58h， 生成 N-tert-butyl-2-cyclohexyl-1,2,4-triazole-3-carboxamide
  参考文献：
  名称：

  Practical Synthesis of Functionalized 1,5-Disubstituted 1,2,4-Triazole Derivatives

  摘要：

  A general approach for the synthesis of 1,5-disubstituted-1,2,4-triazole compounds is described. A series of new oxamide-derived amidine reagents can be accessed in excellent yield with minimal purification necessary. Typically, these amidine reagents are stable crystalline solids and in certain cases were found to exist in a cyclic form as determined by NMR spectroscopy. Under optimized conditions, the direct reaction of these prepared reagents with various hydrazine hydrochloride salts efficiently generates the target triazoles. Both aromatic and aliphatic hydrazines react readily with the amidine reagents under very mild reaction conditions, delivering desired 1,5-disubstituted-1,2,4-triazole derivatives in good yields.

  DOI：

  10.1021/jo1017603
• 作为产物：
  描述：

  N-tert-butyloxanillic acid ethyl ester 在 氨 作用下， 以 乙醇 、 水 为溶剂， 以91%的产率得到2-chloroethyl chloroformate
  参考文献：
  名称：

  Practical Synthesis of Functionalized 1,5-Disubstituted 1,2,4-Triazole Derivatives

  摘要：

  A general approach for the synthesis of 1,5-disubstituted-1,2,4-triazole compounds is described. A series of new oxamide-derived amidine reagents can be accessed in excellent yield with minimal purification necessary. Typically, these amidine reagents are stable crystalline solids and in certain cases were found to exist in a cyclic form as determined by NMR spectroscopy. Under optimized conditions, the direct reaction of these prepared reagents with various hydrazine hydrochloride salts efficiently generates the target triazoles. Both aromatic and aliphatic hydrazines react readily with the amidine reagents under very mild reaction conditions, delivering desired 1,5-disubstituted-1,2,4-triazole derivatives in good yields.

  DOI：

  10.1021/jo1017603

文献信息

• HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF
  申请人：Merck Patent GmbH

  公开号：US20160096834A1

  公开（公告）日：2016-04-07

  The present invention relates to imidazo pyridine compounds, and pharmaceutically acceptable compositions thereof, useful as BTK inhibitors.

  本发明涉及咪唑吡啶化合物及其药学上可接受的组合物，用作BTK抑制剂。
• FREDERICAMYCIN DERIVATIVES
  申请人：Abel Ulrich

  公开号：US20120295856A1

  公开（公告）日：2012-11-22

  The invention relates to novel fredericamycin derivatives, to drugs containing said derivatives or the salts thereof, and to the use of the fredericamycin derivatives for treating diseases, especially cancer diseases.

  本发明涉及一种新型的fredericamycin衍生物，以及含有该衍生物或其盐的药物，以及利用该fredericamycin衍生物治疗疾病，特别是癌症疾病的用途。
• Substituted N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase
  申请人：PHENEX DISCOVERY VERWALTUNGS-GMBH

  公开号：US11078168B2

  公开（公告）日：2021-08-03

  The invention provides modulators of indoleamine 2,3-dioxygenase (IDO1) and their use in the prophylaxis and/or treatment of IDO1-mediated diseases. Specifically, the present invention provides compounds according to Formula (I) an enantiomer, diastereomer, tautomer or pharmaceutically acceptable salt thereof.

  本发明提供了吲哚胺 2,3-二氧化酶（IDO1）的调节剂及其在预防和/或治疗 IDO1 介导的疾病中的用途。具体而言，本发明提供了符合式（I）的化合物及其对映体、非对映体、同分异构体或药学上可接受的盐。
• Process for making tertiary alkyl amides
  申请人：HARVEL RES CORP

  公开号：US02461509A1

  公开（公告）日：1949-02-15
• Synthesis and antiviral activity of novel HCV NS3 protease inhibitors with P4 capping groups
  作者：Xianfeng Li、Yang Liu、Yong-Kang Zhang、Jacob J. Plattner、Stephen J. Baker、Wei Bu、Liang Liu、Yasheen Zhou、Charles Z. Ding、Suoming Zhang、Wieslaw M. Kazmierski、Robert Hamatake、Maosheng Duan、Lois L. Wright、Gary K. Smith、Richard L. Jarvest、Jing-Jing Ji、Joel P. Cooper、Matthew D. Tallant、Renae M. Crosby、Katrina Creech、Amy Wang

  DOI：10.1016/j.bmcl.2012.10.075

  日期：2012.12

  We have synthesized and evaluated a series of novel HCV NS3 protease inhibitors with various P4 capping groups, which include urea, carbamate, methoxy-carboxamide, cyclic carbamate and amide, pyruvic amide, oxamate, oxalamide and cyanoguanidine. Most of these compounds are remarkably potent, exhibiting single-digit to sub-nanomolar activity in the enzyme assay and cell-based replicon assay. Selected compounds were also evaluated in the protease-inhibitor-resistant mutant transient replicon assay, and they were found to show quite different potency profiles against a panel of HCV protease-inhibitor-resistant mutants. (C) 2012 Elsevier Ltd. All rights reserved.