2-isopropyl-5-methylaniline hydrochloride | 1378950-10-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-isopropyl-5-methylaniline hydrochloride
• 英文别名: 3-amino-p-cymene hydrochloride；3-amino-p-cymene HCl；5-methyl-2-propan-2-ylaniline;hydrochloride
• CAS: 1378950-10-7
• 化学式: C₁₀H₁₅N*ClH
• 分子量: 185.697
• InChiKey: VDOPDZCHKHNPDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.12
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-isopropyl-5-methylaniline hydrochloride 、 4-苯基苯甲酸 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 17.25h， 以50%的产率得到N-(2-isopropyl-5-methylphenyl)biphenyl-4-carboxamide
  参考文献：
  名称：

  Modulation of thermo-transient receptor potential (thermo-TRP) channels by thymol-based compounds

  摘要：

  A series of thirty-three thymol, p-cymene-3-carboxylic acid, and 3-amino-p-cymene derivatives was synthesized and tested on TRPA1, TRPM8, and TRPV3 channels. Most of them acted as strong modulators of TRPA1, TRPM8, and TRPV3 channels with EC50 and/or IC50 values distinctly lower than those of thymol and related monoterpenoids. Some of the compounds examined, that is, 3c, 4e, f, 6b, and 8b exhibited an appreciable subtype-selectivity. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.055
• 作为产物：
  描述：

  N-(diphenylmethylene)-2-isopropyl-5-methylaniline 在 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 16.0h， 以72%的产率得到2-isopropyl-5-methylaniline hydrochloride
  参考文献：
  名称：

  Modulation of thermo-transient receptor potential (thermo-TRP) channels by thymol-based compounds

  摘要：

  A series of thirty-three thymol, p-cymene-3-carboxylic acid, and 3-amino-p-cymene derivatives was synthesized and tested on TRPA1, TRPM8, and TRPV3 channels. Most of them acted as strong modulators of TRPA1, TRPM8, and TRPV3 channels with EC50 and/or IC50 values distinctly lower than those of thymol and related monoterpenoids. Some of the compounds examined, that is, 3c, 4e, f, 6b, and 8b exhibited an appreciable subtype-selectivity. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.055

文献信息

• US4101582A
  申请人：——

  公开号：US4101582A

  公开（公告）日：1978-07-18
• US4165231A
  申请人：——

  公开号：US4165231A

  公开（公告）日：1979-08-21
• US4251264A
  申请人：——

  公开号：US4251264A

  公开（公告）日：1981-02-17
• US4297127A
  申请人：——

  公开号：US4297127A

  公开（公告）日：1981-10-27
• Modulation of thermo-transient receptor potential (thermo-TRP) channels by thymol-based compounds
  作者：Giorgio Ortar、Ludovica Morera、Aniello Schiano Moriello、Enrico Morera、Marianna Nalli、Vincenzo Di Marzo、Luciano De Petrocellis

  DOI：10.1016/j.bmcl.2012.03.055

  日期：2012.5

  A series of thirty-three thymol, p-cymene-3-carboxylic acid, and 3-amino-p-cymene derivatives was synthesized and tested on TRPA1, TRPM8, and TRPV3 channels. Most of them acted as strong modulators of TRPA1, TRPM8, and TRPV3 channels with EC50 and/or IC50 values distinctly lower than those of thymol and related monoterpenoids. Some of the compounds examined, that is, 3c, 4e, f, 6b, and 8b exhibited an appreciable subtype-selectivity. (C) 2012 Elsevier Ltd. All rights reserved.