methyl 1,1,1-trichloromethyl carbonate | 101970-86-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: methyl 1,1,1-trichloromethyl carbonate
• 英文别名: carbonic acid methyl ester-trichloromethyl ester；Kohlensaeure-methylester-trichlormethylester；α.α.α-Trichlor-dimethylcarbonat；Methyl-trichlormethyl-carbonat；Kohlensaeure-methyl-trichlormethyl-ester；Carbonic acid, methyl trichloromethyl ester；methyl trichloromethyl carbonate
• CAS: 101970-86-9
• 化学式: C₃H₃Cl₃O₃
• 分子量: 193.414
• InChiKey: KYZWAJMFZBMJEN-UHFFFAOYSA-N

物化性质

• 沸点：
  165 °C
• 密度：
  1.535 g/cm3(Temp: 15 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 1,1,1-trichloromethyl carbonate 生成 三光气
  参考文献：
  名称：

  Hentschel, Journal fur praktische Chemie (Leipzig 1954), 1887, vol. <2>36, p. 103,314

  摘要：

  DOI：
• 作为产物：
  描述：

  甲醇 、 氯甲酸三氯甲酯 在 三乙胺 作用下， 以 苯 为溶剂， 反应 1.0h， 生成 methyl 1,1,1-trichloromethyl carbonate
  参考文献：
  名称：

  Lipase-catalyzed regioselective hydrolysis of 3(5)-methylpyrazole-N-carboxylates in water-saturated organic solvents

  摘要：

  Pure N-substituted-azole regioisomers containing substituents on the C-atom of azole ring may exert different biological activities, just like pure enantiomers do in comparison with their antipodes. It is therefore highly desirable that they can be effectively synthesized from their precursors or separated from regioisomeric mixtures. With lipase-catalyzed hydrolysis of (R)-1-phenylethyl 3(5)-methylpyrazole-N-carboxylate mixture (1a and 1b) in water-saturated organic solvents as the model system, excellent regioselectivity (V-1a/V-1b > 100) for 3-methylpyrazole-N-carboxylate (la) is obtainable when selecting Novozym 435 from Candida antartica lipase B, but not Lipase MY-30 from Candida rugosa and Lipase PS-D from Pseudomonas cepacia, as the biocatalyst. Increasing of solvent hydrophobicity and temperature, or decreasing of water content, may enhance the enzyme activity but not regioselectivity. A change of the 1-phenylethyl moiety to an isopropyl or straight alkyl chain is longer than propyl for other substrates also results in excellent regioselectivity. The biocatalysis is successfully extended to the hydrolysis of (R)-1-phenylethyl 3(5)-methyl-4-bromopyrazole-N-carboxylate mixture (8a and 8b) with V-8a/V-8b > 100 for preparing pure 5-methyl-4-bromopyrazole-N-carboxylate. Crown Copyright (C) 2011 Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2011.08.012

文献信息

• CONJUGATES OF CEREBLON BINDING COMPOUNDS AND G12C MUTANT KRAS, HRAS OR NRAS PROTEIN MODULATING COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Araxes Pharma LLC

  公开号：US20180015087A1

  公开（公告）日：2018-01-18

  Conjugates of a cereblon-binding compound and compounds having modulatory activity against G12C mutant KRAS, HRAS or NRAS G12C proteins are provided. Methods associated with preparation and use of such conjugates, pharmaceutical compositions comprising such conjugates and methods to modulate the activity of G12C mutant KRAS, HRAS or NRAS G12C proteins for treatment of disorders, such as cancer, are also provided.

  提供了与谷氨酰脑结合化合物和具有调节活性对抗G12C突变KRAS、HRAS或NRAS G12C蛋白的化合物的共轭物。还提供了与制备和使用这种共轭物相关的方法，包括含有这种共轭物的药物组合物以及调节G12C突变KRAS、HRAS或NRAS G12C蛋白活性的方法，用于治疗癌症等疾病。
• ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY
  申请人：Conticello Richard

  公开号：US20100016297A1

  公开（公告）日：2010-01-21

  The present disclosure provides compounds having affinity for the 5-HT 6 receptor which are of the formula (I): wherein R 1 , R 2 , Ar, m and n are as defined herein. The disclosure also relates to methods of preparing such compounds, compositions containing such compounds, and methods of use thereof.

  本公开提供了具有对5-HT 6 受体亲和力的化合物，其化学式为（I）： 其中R1、R2、Ar、m和n如本文所定义。本公开还涉及制备这种化合物的方法、含有这种化合物的组合物以及使用它们的方法。
• ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY
  申请人：Conticello Richard

  公开号：US20100029629A1

  公开（公告）日：2010-02-04

  The present disclosure provides compounds having affinity for the 5-HT 6 receptor which are of the formula (I): wherein R 1 , R 2 , R 5 , Q, G, Ar, m, and n are as defined herein. The disclosure also relates to methods of preparing such compounds, compositions containing such compounds, and methods of use thereof.

  本公开提供了具有对5-HT 6 受体亲和力的化合物，其化学式为（I）： 其中R1、R2、R5、Q、G、Ar、m和n如本文所定义。本公开还涉及制备这种化合物的方法、含有这种化合物的组合物以及使用这些化合物的方法。
• PYRROLIDINE-SUBSTITUTED AZAINDOLE COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY
  申请人：Danca Mihaela Diana

  公开号：US20100022581A1

  公开（公告）日：2010-01-28

  The present disclosure provides compounds having affinity for the 5-HT 6 receptor which are of the formula (I): wherein R 1 , R 2 , A, B, D, E, G, Ar, and n are as defined herein. The disclosure also relates to methods of preparing such compounds, compositions containing such compounds, and methods of use thereof.

  本公开提供了具有亲和力的化合物，其对5-HT 6 受体具有亲和力，其化学式为（I）： 其中R1、R2、A、B、D、E、G、Ar和n如本文所定义。本公开还涉及制备这种化合物的方法、含有这种化合物的组合物以及使用它们的方法。
• METHODS AND COMPOSITIONS FOR MAKING AN AMINO ACID TRIHYDROCHLORIDE
  申请人：Warsaw Orthopedic, Inc.

  公开号：US20150197483A1

  公开（公告）日：2015-07-16

  In some embodiments, a method of making an amino acid trihydrochloride is provided, the method comprising reacting an amino acid monohydrochloride with an alkanolamine to form the amino acid trihydrochloride. In some embodiments, the amino acid monohydrochloride comprises lysine hydrochloride, which is mixed with ethanolamine to form lysine ester trihydrochloride. In some embodiments, there is a lysine ester trihydrochloride salt having a purity of at least about 98%, the lysine ester trihydrochloride salt having a structure resulting from reacting lysine hydrochloride and ethanolamine to form the lysine ester trihydrochloride salt. The lysine ester trihydrochloride can be made in one reaction vessel.

  在某些实施例中，提供了一种制备氨基酸三氢氯化物的方法，该方法包括将氨基酸单氢氯化物与烷醇胺反应以形成氨基酸三氢氯化物。在某些实施例中，氨基酸单氢氯化物包括赖氨酸盐酸盐，其与乙醇胺混合以形成赖氨酸酯三氢氯化物。在某些实施例中，存在一种纯度至少约98%的赖氨酸酯三氢氯化物盐，该赖氨酸酯三氢氯化物盐具有由赖氨酸盐酸盐和乙醇胺反应形成赖氨酸酯三氢氯化物盐的结构。赖氨酸酯三氢氯化物可以在一个反应容器中制造。