4-氯-N-(2-氯乙基)苯甲酰胺 | 51847-02-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-氯-N-(2-氯乙基)苯甲酰胺
• 英文名称: 4-chloro-N-(2-chloroethyl)benzamide
• 英文别名: N-(2-chloroethyl)-4-chlorobenzamide；N-(2-chloroethyl) benzamide；p-chloro-N-(2-chloroethyl)-benzamide；4-chloro-N-(2-chloro-ethyl)-benzamide；2-(4-Chlorbenzoylamino)-ethylchlorid
• CAS: 51847-02-0
• 化学式: C₉H₉Cl₂NO
• 分子量: 218.083
• InChiKey: MDUXCQKPDCOYJQ-UHFFFAOYSA-N

物化性质

• 溶解度：
  可溶于氯仿、可溶于二氯甲烷、乙酸乙酯

计算性质

• 辛醇/水分配系数(LogP)：
  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：
  0.22
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-氯-N-(2-氯乙基)苯甲酰胺 在 1,2-双(二苯基膦)乙烷氯化镍 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 3.5h， 生成 2-(4-propylphenyl)-4,5-dihydrooxazole
  参考文献：
  名称：

  Oxazolines. 3. Regioselective synthesis of 2-(monosubstituted phenyl) and/or unsymmetrically 2-(disubstituted phenyl) 2-oxazolines by cross-coupling Grignard reagents to (haloaryl)-2-oxazolines

  摘要：

  DOI：

  10.1021/jo00143a029
• 作为产物：
  描述：

  4-氯苯甲酰氯 在 氯化亚砜 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 1.0h， 生成 4-氯-N-(2-氯乙基)苯甲酰胺
  参考文献：
  名称：

  Oxazolines. 3. Regioselective synthesis of 2-(monosubstituted phenyl) and/or unsymmetrically 2-(disubstituted phenyl) 2-oxazolines by cross-coupling Grignard reagents to (haloaryl)-2-oxazolines

  摘要：

  DOI：

  10.1021/jo00143a029

文献信息

• One-pot triflic anhydride-mediated synthesis of 1,2-disubstituted 2-imidazolines from N-(2-haloethyl)amides and amines
  作者：Alyssa A. Ellsworth、Christina L. Magyar、Grace E. Hubbell、Chelsea C. Theisen、Daniel Holmes、R. Adam Mosey

  DOI：10.1016/j.tet.2016.08.040

  日期：2016.10

  A one-pot synthesis of 1,2-disubstituted 2-imidazolines from N-(2-haloethyl)amides has been developed. The reaction affords high yields of diverse 1,2-disubstituted 2-imidazolines from triflic anhydride-mediated dehydration of amides followed by installation of a primary amine.

  已经开发了由N-（2-卤代乙基）酰胺一锅合成1，2-二取代的2-咪唑啉。该反应从三氟甲磺酸酐介导的酰胺脱水，然后安装伯胺的方法中，可得到高产率的各种1,2-二取代的2-咪唑啉。
• [EN] NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES<br/>[FR] NOUVELLES MÉTHODES DE TRAITEMENT DES MALADIES INFLAMMATOIRES
  申请人：CORTICAL PTY LTD

  公开号：WO2004089927A1

  公开（公告）日：2004-10-21

  Methods of inhibiting the cytokine or biological activity of Macrophage Migration Inhibitory Factor (MIF) comprising contacting MIF with a compound of formula (I) are provided. The invention also relates to methods of treating diseases or conditions where MIF cytokine or biological activity is implicated comprising administration of compounds of formula (I), either alone or as a part of combination therapy. Novel compounds of formula (I) are also provided for.

  提供了抑制巨噬细胞迁移抑制因子（MIF）细胞因子或生物活性的方法，包括将MIF与式（I）化合物接触。该发明还涉及治疗MIF细胞因子或生物活性参与的疾病或病况的方法，包括给予式（I）化合物的治疗，可以单独使用或作为联合疗法的一部分。还提供了式（I）的新化合物。
• Thionation ofN-(?-Halogenoalkyl)-Substituted Amides withLawesson's Reagent: Facile Synthesis of 4,5-Dihydro-1,3-thiazoles and 5,6-Dihydro-4H-1,3-thiazines
  作者：Yasuhiro Kodama、Mayuko Ori、Takehiko Nishio

  DOI：10.1002/hlca.200590000

  日期：2005.2

  The thionation and cyclization of N-(ω-halogenoalkyl)-substituted amides (and related compounds) with Lawesson's reagent (LR=2,4-bis(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane 2,4-disulfide) has been investigated. Treatment of the amides 1 with LR gave the corresponding thioamides 2 in moderate to good yields (Table). The latter, upon treatment with base, afforded, either in a separate step or in

  的硫化和环化Ñ（ - ω -halogenoalkyl） -取代酰胺（和相关化合物）与劳森氏试剂（LR = 2,4-双（4-甲氧基苯基）-1,3,2,4-二硫2， 4-二硫化物）已被研究。用LR处理酰胺1，以中等至良好的产率得到相应的硫代酰胺2（表）。后者在用碱处理后，在单独的步骤或一锅法中得到环化的标题化合物，即4,5-二氢-1,3-噻唑3或相应的5-6-二氢-4 H-噻嗪4通过脱卤化氢反应。
• Morpholino containing benzamides
  申请人：Hoffmann-La Roche Inc.

  公开号：US04210754A1

  公开（公告）日：1980-07-01

  Benzamides of the formula ##STR1## wherein X is halogen, trifluoromethyl or C.sub.3-4 -alkyl and Y is hydrogen, halogen or nitro, and N-oxides thereof, prepared inter alia from N-(2-aminoethyl)-morpholine and an acid of the formula ##STR2## wherein X and Y are as hereinbefore set forth, are described. The end products are useful in the treatment of depressive conditions, that is, are useful as antidepressants.

  本发明涉及一种苯甲酰胺化合物，其化学式为##STR1##其中X为卤素，三氟甲基或C.sub.3-4-烷基，Y为氢，卤素或硝基，以及其N-氧化物。该化合物可以通过N-(2-氨基乙基)-吗啡啶和化学式为##STR2##的酸反应制备而成，其中X和Y如前所述。该化合物可用于治疗抑郁症，即可用作抗抑郁剂。
• Iron-catalyzed benzamide formation. Application to the synthesis of moclobemide
  作者：Xavier Bantreil、Nasreddine Kanfar、Nicolas Gehin、Ethan Golliard、Pauline Ohlmann、Jean Martinez、Frédéric Lamaty

  DOI：10.1016/j.tet.2014.06.001

  日期：2014.8

  A convenient and user-friendly method to yield benzamides from primary and secondary amines and various benzylic alcohols in the presence of a cheap iron salt (FeCl2 center dot 4H(2)O) and tert-butylhydroperoxide (70% in water) as a stoichiometric oxidant is described. Control experiments indicated that this reaction might involve radical species. This method proved to be general, generating a family of 30 benzamides and was applied to the preparative synthesis of anti-anxiety drug moclobemide. (C) 2014 Published by Elsevier Ltd.