2-oxo-2-[4-(m-tolyl)piperazin-1-yl]ethyl chloride | 62892-84-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-oxo-2-[4-(m-tolyl)piperazin-1-yl]ethyl chloride
• 英文别名: 1-chloroacetyl-4-m-tolyl-piperazine；2-Chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
• CAS: 62892-84-6
• 化学式: C₁₃H₁₇ClN₂O
• mdl: MFCD06741977
• 分子量: 252.744
• InChiKey: LWXVGFPRFDLRJT-UHFFFAOYSA-N

物化性质

• 沸点：
  433.4±45.0 °C(Predicted)
• 密度：
  1.194±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E)-N’-(4'-chlorobenzylidene)isonicotinohydrazide 、 2-oxo-2-[4-(m-tolyl)piperazin-1-yl]ethyl chloride 在 sodium hydride 作用下， 以 甲苯 为溶剂， 反应 48.0h， 生成 N-[(E)-(2,4-dichlorophenyl)methyleneamino]-N-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]pyridine-4-carboxamide
  参考文献：
  名称：

  Synthesis of isonicotinic acid N′-arylidene-N-[2-oxo-2-(4-aryl-piperazin-1-yl)-ethyl]-hydrazides as antituberculosis agents

  摘要：

  A new series of antituberculosis agents 6-9 was designed, synthesized and evaluated for antituberculosis activity against Mycobacterium tuberculosis H(37)Rv and clinical isolates in an agar dilution method. Compound 9h showed comparable in vitro activity (MIC) to isoniazid against M. tuberculosis H(37)Rv and clinical isolates (sensitive strains) and superior activity against resistant strains of M. tuberculosis. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.01.073
• 作为产物：
  描述：

  1-(3-（甲基苯基）哌啶 、 氯乙酰氯 生成 2-oxo-2-[4-(m-tolyl)piperazin-1-yl]ethyl chloride
  参考文献：
  名称：

  SHARMA M.; SHANKER K.; BHARGAVA K. P.; KISHOR K., INDIAN J. PHARM. SCI., 1979, 41, NO 14, 44-46

  摘要：

  DOI：

文献信息

• Synthesis of 2-alkyl-5-phenylaminomethyl-2,4-dihydro-3H-[1,2,4]triazol-3-ones based on 2-alkyl-6-phenyl-6,7-dihydro-3H-imidazo-[5,1-c][1,2,4]triazole-3,5(2H)-diones
  作者：A. N. Komogortsev、B. V. Lichitskii、K. S. Krylov、A. A. Dudinov、M. M. Krayushkin

  DOI：10.1007/s11172-014-0636-1

  日期：2014.7

  A new convenient method for the synthesis of earlier unknown 2-substituted derivatives of 5-phenylaminomethyl-2,4-dihydro-3H-[1,2,4]triazol-3-ones was developed. The method involved the alkaline hydrolysis of 2-alkyl-6-phenyl-6,7-dihydro-3H-imidazo[5,1-c][1,2,4]-triazole-3,5(2H)-diones obtained by alkylation of 6-phenyl-6,7-dihydro-2H-imidazo[5,1-c]-[1,2,4]triazole-3,5(2H)-diones.

  开发了一种新的方便的方法，用于合成早期未知的 2-取代 5-苯基氨基甲基-2,4-二氢-3H-[1,2,4] 三唑-3-酮衍生物。该方法涉及碱水解得到的2-烷基-6-苯基-6,7-二氢-3H-咪唑并[5,1-c][1,2,4]-三唑-3,5(2H)-二酮通过 6-苯基-6,7-二氢-2H-咪唑并[5,1-c]-[1,2,4]三唑-3,5(2H)-二酮的烷基化。
• Lata; Satsangi; Srivastava, Arzneimittel-Forschung/Drug Research, 1982, vol. 32, # 1, p. 24 - 27
  作者：Lata、Satsangi、Srivastava、Kishor

  DOI：——

  日期：——
• Tiwari,S.S.; Misra,S.B., Journal of the Indian Chemical Society, 1976, vol. 53, p. 917 - 919
  作者：Tiwari,S.S.、Misra,S.B.

  DOI：——

  日期：——
• GUPTA A. K. S.; AGARWAL K. C.; SETH P. K., INDIAN J. CHEM. <IJC-AP>, 1976, B 14, NO 12, 1000-1001
  作者：GUPTA A. K. S.、 AGARWAL K. C.、 SETH P. K.

  DOI：——

  日期：——
• Synthesis of isonicotinic acid N′-arylidene-N-[2-oxo-2-(4-aryl-piperazin-1-yl)-ethyl]-hydrazides as antituberculosis agents
  作者：Neelima Sinha、Sanjay Jain、Ajay Tilekar、Ram Shankar Upadhayaya、Nawal Kishore、Gour Hari Jana、Sudershan K. Arora

  DOI：10.1016/j.bmcl.2005.01.073

  日期：2005.3

  A new series of antituberculosis agents 6-9 was designed, synthesized and evaluated for antituberculosis activity against Mycobacterium tuberculosis H(37)Rv and clinical isolates in an agar dilution method. Compound 9h showed comparable in vitro activity (MIC) to isoniazid against M. tuberculosis H(37)Rv and clinical isolates (sensitive strains) and superior activity against resistant strains of M. tuberculosis. (c) 2005 Elsevier Ltd. All rights reserved.