5-氯-2-(环己基氨基)苯甲酸甲酯 | 62675-26-7

• 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: 5-氯-2-(环己基氨基)苯甲酸甲酯
• 英文名称: methyl 5-chloro-2-(cyclohexylamino)benzoate
• 英文别名: 5-Chloro-N-cyclohexylanthranilsaeuremethylester
• CAS: 62675-26-7
• 化学式: C₁₄H₁₈ClNO₂
• mdl: MFCD12118298
• 分子量: 267.755
• InChiKey: WRHQSUOHQXGLRT-UHFFFAOYSA-N

物化性质

• 熔点：
  71-72 °C(Solv: benzene (71-43-2))
• 沸点：
  395.9±22.0 °C(Predicted)
• 密度：
  1.210±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-氯-2-(环己基氨基)苯甲酸甲酯 在 sodium hydroxide 、 水 作用下， 以 乙醇 为溶剂， 生成 5-Chloro-N-cyclohexylanthranilsaeure
  参考文献：
  名称：

  2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER

  摘要：

  公开号：

  EP1955697B1
• 作为产物：
  描述：

  N-cyclohexyl-O-benzoylhydroxylamine 、 在 copper(I) chloride bis(lithium chloride) complex 作用下， 以 四氢呋喃 为溶剂， 反应 2.5h， 以61%的产率得到5-氯-2-(环己基氨基)苯甲酸甲酯
  参考文献：
  名称：

  Non-Deprotonative Primary and Secondary Amination of (Hetero)Arylmetals

  摘要：

  Herein we disclose a novel method for the facile transfer of primary (-NH2) and secondary amino groups (-NHR) to heteroaryl- as well as arylcuprates at low temperature without the need for precious metal catalysts, ligands, excess reagents, protecting and/or directing groups. This one-pot transformation allows unprecedented functional group tolerance and it is well suited for the amination of electron-rich, electron-deficient as well as structurally complex (hetero)arylmetals. In some of the cases, only catalytic amounts of a copper(I) salt is required.

  DOI：

  10.1021/jacs.6b12712

文献信息

• AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS
  申请人：WILLIAM MARSH RICE UNIVERSITY

  公开号：US20180057444A1

  公开（公告）日：2018-03-01

  In one aspect, the present disclosure provides methods of preparing a primary or secondary amine and hydroxylated aromatic compounds. In some embodiments, the aromatic compound may be unsubstituted, substituted, or contain one or more heteroatoms within the rings of the aromatic compound. The methods described herein may be carried out without the need for transition metal catalysts or harsh reaction conditions.

  在一个方面，本公开提供了制备初级或次级胺和含羟基芳香化合物的方法。在一些实施例中，芳香化合物可以是未取代的、取代的，或者在芳香化合物的环中含有一个或多个杂原子。本文描述的方法可以在不需要过渡金属催化剂或苛刻反应条件的情况下进行。
• 2-AMINOBENZAMIDE DERIVATIVE
  申请人：Kuramochi Takahiro

  公开号：US20090233900A1

  公开（公告）日：2009-09-17

  To provide a novel and excellent agent for treating or preventing nociceptive pain, neuropathic pain, cancer pain, headache, bladder function disorder and the like, based on the inhibitory action on the capsaicin receptor VR1 activation. The present invention was accomplished by confirming that a benzamide derivative characterized by the possession of a benzene ring in which a single ring is condensed on the nitrogen atom of amido group and possession of a lower alkylamino or an amino group substituted with a ring group at the neighboring position of said amido group has a strong inhibitory action on VR1 activation and excellent pharmacological actions based on this and by finding that it can become an excellent agent for treating or preventing VR1-involved diseases such as nociceptive pain, neuropathic pain, cancer pain, headache, bladder function disorder and the like.

  本发明提供了一种基于对辣椒素受体VR1激活的抑制作用的新型优良药剂，用于治疗或预防伤害性疼痛、神经病理性疼痛、癌症疼痛、头痛、膀胱功能障碍等疾病。本发明通过确认一种苯甲酰胺衍生物，其特征在于其苯环上的单环在酰胺基氮原子上被紧缩，其低烷基氨基或邻位于酰胺基的环基取代的氨基具有对VR1激活的强抑制作用和优良的药理作用，从而发现它可以成为治疗或预防伤害性疼痛、神经病理性疼痛、癌症疼痛、头痛、膀胱功能障碍等VR1相关疾病的优良药剂。
• 2-aminobenzamide derivatives
  申请人：Astellas Pharma Inc.

  公开号：US08106190B2

  公开（公告）日：2012-01-31

  To provide a novel and excellent agent for treating or preventing nociceptive pain, neuropathic pain, cancer pain, headache, bladder function disorder and the like, based on the inhibitory action on the capsaicin receptor VR1 activation. The present invention was accomplished by confirming that a benzamide derivative characterized by the possession of a benzene ring in which a single ring is condensed on the nitrogen atom of amido group and possession of a lower alkylamino or an amino group substituted with a ring group at the neighboring position of said amido group has a strong inhibitory action on VR1 activation and excellent pharmacological actions based on this and by finding that it can become an excellent agent for treating or preventing VR1-involved diseases such as nociceptive pain, neuropathic pain, cancer pain, headache, bladder function disorder and the like.

  为了提供一种新颖且优秀的药剂，用于治疗或预防嗜痛性疼痛、神经病理性疼痛、癌症疼痛、头痛、膀胱功能障碍等，基于对辣椒素受体VR1激活的抑制作用。本发明通过确认一种苯甲酰胺衍生物，其特征在于其苯环上的单环在酰胺基团的氮原子上凝聚，并具有一个邻位取代环基的较低烷基氨基或氨基团，具有对VR1激活的强抑制作用和基于此的优异药理学作用，并发现它可以成为治疗或预防嗜痛性疼痛、神经病理性疼痛、癌症疼痛、头痛、膀胱功能障碍等VR1相关疾病的优秀药剂。
• CORRAL C.; MADRONERO R.; VEGA S., J. HETEROCYCL. CHEM. <JHTC-AD>, 1977, 14, NO 1, 99-102
  作者：CORRAL C.、 MADRONERO R.、 VEGA S.

  DOI：——

  日期：——
• US8106190B2
  申请人：——

  公开号：US8106190B2

  公开（公告）日：2012-01-31