[5-chloro-2-hydroxyphenyl]-[3-chlorophenyl]-methanone | 61785-36-2

• 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: [5-chloro-2-hydroxyphenyl]-[3-chlorophenyl]-methanone
• 英文别名: Methanone, (5-chloro-2-hydroxyphenyl)(3-chlorophenyl)-；(5-chloro-2-hydroxyphenyl)-(3-chlorophenyl)methanone
• CAS: 61785-36-2
• 化学式: C₁₃H₈Cl₂O₂
• 分子量: 267.111
• InChiKey: LRVSNASUZRUMJW-UHFFFAOYSA-N

物化性质

• 熔点：
  72°C
• 沸点：
  397.3±37.0 °C(Predicted)
• 密度：
  1.406±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [5-chloro-2-hydroxyphenyl]-[3-chlorophenyl]-methanone 在 potassium carbonate 、 一水合肼 作用下， 以 乙醇 、 丙酮 为溶剂， 生成 2-[2(3-chlorobenzoyl)-4-chlorophenoxy]methyl-1,3,4-oxadiazole
  参考文献：
  名称：

  Synthesis and evaluation of in vitro antimicrobial activity of novel 2-[2-(aroyl)aroyloxy]methyl-1,3,4-oxadiazoles

  摘要：

  Synthetic pathway of the ten novel 2-[2-(aroyl)aroyloxy]methyl-1,3,4-oxadiazoles as new potential antimicrobial agents is illustrated. Intramolecular cyclization of 2-(2-aroylaryloxy) aceto hydrazides to 2-[2-(aroyl)aroyloxy]methyl-1,3,4-oxadiazoles was achieved with triethyl orthoformate in good yields. The compounds were characterized by IR, H-1 NMR, mass spectra and by means of CHN analysis. The target compounds were tested for their in vitro antimicrobial activity against representative strains by disc diffusion method and micro dilution methods. Several compounds showed antimicrobial activity comparable with or higher than the standard drugs.

  DOI：

  10.1134/s1068162014030066

文献信息

• Synthesis and biological evaluation of (±)-benzhydrol derivatives as potent non-nucleoside HIV-1 reverse transcriptase inhibitors
  作者：Xiao-Dong Ma、Xuan Zhang、Shi-Qiong Yang、Hui-Fang Dai、Liu-Meng Yang、Shuang-Xi Gu、Yong-Tang Zheng、Qiu-Qin He、Fen-Er Chen

  DOI：10.1016/j.bmc.2011.07.003

  日期：2011.8

  A series of (±)-benzhydrol derivatives featuring the essential sulfonamide group at the para position on the C-ring were synthesized and evaluated for the potential anti-HIV activity in C8166 cells. Most of these analogues demonstrated low concentration inhibitory activity with EC50 values less than 1 μM against the wild-type HIV-1. In particular, compound 7h was identified as the highest active inhibitor

  合成了一系列在（C）环对位上具有必需磺酰胺基的（±）-苯氢衍生物，并评估了C8166细胞中潜在的抗HIV活性。这些类似物中的大多数都表现出低浓度的抑制活性，对野生型HIV-1的EC 50值小于1μM。尤其是，化合物7h被确定为野生型HIV-1的最高活性抑制剂，EC 50值为0.12μM，选择性指数值为312.73。此外，它们中的一些还对带有EC 50的双重突变菌株A 17（K103N + Y181C）表现出中等活性。值低于5μM。此外，还探索了与RT的结合模式以及这些衍生物的初步结构-活性关系，以进行进一步的化学修饰。
• HAIR DYE
  申请人：FUJIFILM Corporation

  公开号：EP2517690A1

  公开（公告）日：2012-10-31

  It is an object of the present invention to provide a safe hair dye, which requires a short hair dyeing time, has good hair dyeing property and color tone, and also has an effect of preventing photofading. The present invention provides a hair dye, which comprises a combination of (a) a first agent containing a substance reacting with iron to develop color and an ultraviolet absorbent having a 2-hydroxybenzophenone skeleton, and (b) a second agent containing iron salt.

  本发明的目的是提供一种安全的染发剂，它需要的染发时间短，染发性能和色调好，还具有防止光褪色的效果。本发明提供了一种染发剂，它由以下两部分组合而成：(a) 含有与铁反应而显色的物质的第一剂和具有 2-羟基二苯甲酮骨架的紫外线吸收剂；(b) 含有铁盐的第二剂。
• HAIR-DYE COMPOSITION
  申请人：FUJI-FILM Corporation

  公开号：EP2868312A1

  公开（公告）日：2015-05-06

  A hair dye composition, including a first agent and a second agent, (1) the first agent including: (a) at least one selected from the group consisting of tannic acid, gallic acid, and a gallic acid derivative; and (b) 0.5% by mass to 10% by mass of ammonium hydrogen carbonate with respect to the total mass of the first agent, and (2) the second agent including an iron salt.

  一种染发剂组合物，包括第一药剂和第二药剂，(1) 第一药剂包括：(a) 从单宁酸、没食子酸和没食子酸衍生物组成的组中选出的至少一种；(b) 相对于第一药剂总质量的 0.5% 至 10% 质量的碳酸氢铵；(2) 第二药剂包括铁盐。
• US4294845A
  申请人：——

  公开号：US4294845A

  公开（公告）日：1981-10-13
• US7273863B1
  申请人：——

  公开号：US7273863B1

  公开（公告）日：2007-09-25