N-(3-chloro-2-hydroxyphenyl)propionamide | 221291-87-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(3-chloro-2-hydroxyphenyl)propionamide
• 英文别名: Propanamide, N-(3-chloro-2-hydroxyphenyl)-；N-(3-chloro-2-hydroxyphenyl)propanamide
• CAS: 221291-87-8
• 化学式: C₉H₁₀ClNO₂
• mdl: MFCD24394180
• 分子量: 199.637
• InChiKey: QPWHEDZASSKIQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(3-chloro-2-hydroxyphenyl)propionamide 在 tricalcium phosphate monohydrate 、 乌洛托品 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 、 三环己基膦 作用下， 以 1,4-二氧六环 、 水 、 甲苯 为溶剂， 反应 1.75h， 生成 N-(3-chloro-5-(((1-(2'-chloro-[1,1'-biphenyl]-3-yl)-4-cyano-3-methyl-1H-pyrazol-5-yl)amino)methyl)-2-hydroxyphenyl)propionamide
  参考文献：
  名称：

  JP6052673

  摘要：

  公开号：
• 作为产物：
  描述：

  2-氯-6-硝基苯酚 在 吡啶 、 iron(III) chloride 、 甲烷 、 肼 作用下， 以 四氢呋喃 、 异丙醇 为溶剂， 生成 N-(3-chloro-2-hydroxyphenyl)propionamide
  参考文献：
  名称：

  Structure–activity relationship study of phenylpyrazole derivatives as a novel class of anti-HIV agents

  摘要：

  The structure-activity relationship of phenylpyrazole derivative 1 was investigated for the development of novel anti-HIV agents. Initial efforts revealed that the diazenyl group can be replaced by an aminomethylene group. In addition, we synthesized various derivatives by the reductive amination of benzaldehydes with 5-aminopyrazoles and carried out parallel structural optimization on the benzyl group and the pyrazole ring. This optimization led to a six-fold more potent derivative 32j than the lead compound 1, and this derivative has a 3',4'-dichloro-(1,1'-biphenyl)-3-yl group. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.06.026

文献信息

• HAIR DYE COMPOSITION
  申请人：Kao Corporation

  公开号：EP1849454A1

  公开（公告）日：2007-10-31

  A hair dye composition containing an azo dye (1) or a salt thereof, (wherein R1 to R4 represents H, aliphatic hydrocarbon group, aryl group, halogen atom, acyl group, cyano group, acylamino group, or the like, wherein R1 and R2, and/or R3 and R4 may be coupled to form a 5- or 6-membered ring; X represents C or N, with the proviso that when X represents C, n stands for 1, and when X represents N, n stands for 0; A1, A2, A3 and A4 each represents N or represents C substituted by Y or having H, with the proviso that at least one of A1, A2, A3 and A4 is a nitrogen atom; and Y represents a substituent with the proviso that m stands for an integer from 0 to 3).

  一种含有偶氮染料（1）或其盐的染发组合物、 (其中 R1 至 R4 代表 H、脂族烃基、芳基、卤素原子、酰基、氰基、酰氨基或类似基团，其中 R1 和 R2 和/或 R3 和 R4 可连接形成 5 或 6 元环；X 代表 C 或 N，但条件是当 X 代表 C 时，n 代表 1，当 X 代表 N 时，n 代表 0；A1、A2、A3 和 A4 各自代表 N 或代表被 Y 取代或具有 H 的 C，但 A1、A2、A3 和 A4 中至少有一个是氮原子；Y 代表取代基，但 m 代表 0 至 3 的整数。）
• AZO DYE
  申请人：Fujifilm Corporation

  公开号：EP1772493B1

  公开（公告）日：2016-07-20
• Azo Dye
  申请人：Ishiwata Yasuhiro

  公开号：US20080027221A1

  公开（公告）日：2008-01-31

  An azo dye represented by the following formula (I): wherein, in formula (I), R 1 , R 2 , R 3 , and R 4 each independently represent a hydrogen atom, an aliphatic group, an aryl group, a halogen atom, an acyl group, a cyano group, an acylamino group, an aliphatic oxycarbonyl group, an aryloxycarbonyl group, a carbamoyl group, an aliphatic sulfonyl group, an arylsulfonyl group, a sulfamoyl group, an aliphatic oxycarbonylamino group, an aryloxycarbonylamino group, a sulfo group, a carboxyl group, a carbamoylamino group, a sulfamoylamino group, or an aliphatic- or aromatic-sulfonylamino group, wherein R 1 and R 2 and/or R 3 and R 4 may be combined with each other to form a five- or six-membered aromatic ring or non-aromatic ring; X represents a carbon atom or a nitrogen atom, wherein n is 0 when X is a nitrogen atom and n is 1 when X is a carbon atom; A, B, C, and D each represent a carbon atom or a nitrogen atom, provided that at least one of A, B, C and D represents a nitrogen atom; Y represents a substituent; and m denotes an integer from 0 to 3.
• US7651538B2
  申请人：——

  公开号：US7651538B2

  公开（公告）日：2010-01-26
• US7947815B2
  申请人：——

  公开号：US7947815B2

  公开（公告）日：2011-05-24