2-氯-1-(4-己基苯基)-乙酮 | 81539-57-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-氯-1-(4-己基苯基)-乙酮
• 英文名称: 2-Chloro-1-(4-hexylphenyl)ethan-1-one
• 英文别名: 2-chloro-1-(4-hexylphenyl)ethanone
• CAS: 81539-57-3
• 化学式: C₁₄H₁₉ClO
• mdl: MFCD03970383
• 分子量: 238.757
• InChiKey: NRDFSKDVRCHYDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914700090

反应信息

• 作为反应物：
  描述：

  2-氯-1-(4-己基苯基)-乙酮 在 一水合肼 作用下， 以 乙醇 、 二乙二醇 为溶剂， 反应 11.0h， 生成 18-(4-hexylphenyl)-15,16,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene
  参考文献：
  名称：

  苯甲醛与α-卤代烷基芳基酮反应合成1,2-二氨基咪唑衍生物

  摘要：

  DOI：

  10.1007/bf00512966
• 作为产物：
  描述：

  对己基苯乙酮 在 氯 作用下， 以 溶剂黄146 为溶剂， 生成 2-氯-1-(4-己基苯基)-乙酮
  参考文献：
  名称：

  苯甲醛与α-卤代烷基芳基酮反应合成1,2-二氨基咪唑衍生物

  摘要：

  DOI：

  10.1007/bf00512966

文献信息

• Inhibitors of the Interaction of a Thyroid Hormone Receptor and Coactivators:  Preliminary Structure−Activity Relationships
  作者：Leggy A. Arnold、Aaron Kosinski、Eva Estébanez-Perpiñá、R. Kiplin Guy

  DOI：10.1021/jm070556y

  日期：2007.11.1

  The modulation of gene regulation by blocking the interaction between the thyroid receptor (TR) and obligate coregulators has been reported recently with the discovery of the lead compound 3-(dimethylamino)-1-(4-hexylphenyl)propan-1-one). Herein we report studies aimed at optimization of this initial hit to determine the basic parameters of the structure -activity relationships and clarify the mechanism of action. These studies provided new insights, showing that activity and TR beta isoform selectivity is highly correlated with the structural composition of these covalent inhibitors.
• Potent, selective 3-pyridylethanolamine β3 adrenergic receptor agonists possessing a thiazole benzenesulfonamide pharmacophore
  作者：Robert J Mathvink、J.Samuel Tolman、Dawn Chitty、Mari R Candelore、Margaret A Cascieri、Lawrence F Colwell、Liping Deng、William P Feeney、Michael J Forrest、Gary J Hom、D.Euan MacIntyre、Laurie Tota、Matthew J Wyvratt、Michael H Fisher、Ann E Weber

  DOI：10.1016/s0960-894x(00)00390-5

  日期：2000.9

  A series of thiazole benzenesulfonamide-substituted 3-pyridylethanolamines was prepared and evaluated for their human beta(3) adrenergic receptor agonist activity. Incorporation of aryl and heteroaryl substitution in the 4-position of the thiazole ring resulted in a number of highly potent and selective beta(3) agonists. Results of preliminary in vivo evaluation of several of these compounds is described. (C) 2000 Elsevier Science Ltd. All rights reserved.
• IVASHCHENKO, A. V.;LAZAREVA, V. T.;PRUDNIKOVA, E. K.;IVASHCHENKO, S. P.;R+, XIMIYA GETEROTSIKL. SOEDIN., 1982, N 2, 236-241
  作者：IVASHCHENKO, A. V.、LAZAREVA, V. T.、PRUDNIKOVA, E. K.、IVASHCHENKO, S. P.、R+

  DOI：——

  日期：——
• Synthesis of 1,2-diamino imidazole derivatives by the reaction of benzaldehyde guanylhydrazone with ?-haloalkyl aryl ketones
  作者：A. V. Ivashchenko、V. T. Lazareva、E. K. Prudnikova、S. P. Ivashchenko、V. G. Rumyantsev

  DOI：10.1007/bf00512966

  日期：1982.2