(2-Hydroxy-5-ethylphenyl)(5-methyl-thien-2-yl)methanone | 69582-63-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2-Hydroxy-5-ethylphenyl)(5-methyl-thien-2-yl)methanone
• 英文别名: (2-Hydroxy-5-ethylphenyl)(5-methyl-2-thienyl)methanone；(5-ethyl-2-hydroxyphenyl)-(5-methylthiophen-2-yl)methanone
• CAS: 69582-63-4
• 化学式: C₁₄H₁₄O₂S
• 分子量: 246.33
• InChiKey: CWBJHOKXRNQVLV-UHFFFAOYSA-N

物化性质

• 沸点：
  133-136 °C(Press: 0.1 Torr)
• 密度：
  1.204±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-乙基-2-羟基苯甲酸 在 吡啶 、 三氯化铝 、 氯化亚砜 作用下， 以 Petroleum ether 为溶剂， 反应 9.5h， 生成 (2-Hydroxy-5-ethylphenyl)(5-methyl-thien-2-yl)methanone
  参考文献：
  名称：

  Antianaphylactic benzophenones and related compounds

  摘要：

  The synthesis and biological properties of 85 benzophenones and related compounds are described. The majority of the compounds inhibit the release of leukotrienes (LT) C4 and D4 in vitro from sensitized guinea pig chopped lung. In addition, some of the compounds inhibited the release of LTs from passively sensitized human chopped lung and protected guinea pigs from the effects of anaphylaxis in a modified Herxheimer test.

  DOI：

  10.1021/jm00391a010

文献信息

• Heteroaryl ketone derivatives
  申请人：Lilly Industries Limited

  公开号：US04131682A1

  公开（公告）日：1978-12-26

  Novel heteroaryl ketone derivatives, specifically a class of phenyl heteroaryl methanone derivatives, having anti-allergy activity, pharmaceutical formulations containing diphenylmethane derivatives and methods of treatment utilizing such derivatives.

  新颖的杂环烷基酮衍生物，具体是一类苯基杂环烷基甲酮衍生物，具有抗过敏活性，含有二苯甲烷衍生物的药物配方以及利用这些衍生物的治疗方法。
• EVANS, DELME;CRACKNELL, MARK E.;SAUNDERS, JOHN C.;SMITH, CHRISTINE E.;WIL+, J. MED. CHEM., 30,(1987) N 8, 1321-1327
  作者：EVANS, DELME、CRACKNELL, MARK E.、SAUNDERS, JOHN C.、SMITH, CHRISTINE E.、WIL+

  DOI：——

  日期：——
• US4131682A
  申请人：——

  公开号：US4131682A

  公开（公告）日：1978-12-26
• Antianaphylactic benzophenones and related compounds
  作者：Delme Evans、Mark E. Cracknell、John C. Saunders、Christine E. Smith、W. R. Nigel Williamson、William Dawson、W. John F. Sweatman

  DOI：10.1021/jm00391a010

  日期：1987.8

  The synthesis and biological properties of 85 benzophenones and related compounds are described. The majority of the compounds inhibit the release of leukotrienes (LT) C4 and D4 in vitro from sensitized guinea pig chopped lung. In addition, some of the compounds inhibited the release of LTs from passively sensitized human chopped lung and protected guinea pigs from the effects of anaphylaxis in a modified Herxheimer test.