2-(对甲苯氧基)苯磺酰氯 | 206262-15-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(对甲苯氧基)苯磺酰氯
• 英文名称: 2-(4-methylphenoxy)benzenesulfonyl chloride
• 英文别名: [2-(4-Methylphenoxy)phenyl]sulfonyl chloride
• CAS: 206262-15-9
• 化学式: C₁₃H₁₁ClO₃S
• 分子量: 282.748
• InChiKey: QPHZJYGOAUUJHA-UHFFFAOYSA-N

物化性质

• 沸点：
  374.6±25.0 °C(Predicted)
• 密度：
  1.327±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(对甲苯氧基)苯磺酰氯 在 吡啶 、 lithium aluminium tetrahydride 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Structure-based design of caspase-1 inhibitor containing a diphenyl ether sulfonamide

  摘要：

  A series of compounds was designed and prepared as inhibitors of interleukin-1 beta converting enzyme (ICE), also known as caspase-1. These inhibitors, which employ a diphenyl ether sulfonamide, were designed to improve potency by forming favorable interactions between the diphenyl ether rings and the prime side hydrophobic region. An X-ray crystal structure of a representative member of the diphenyl ether sulfonamide series bound to the active site of caspase-1 was obtained. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00573-x
• 作为产物：
  描述：

  2-(4-甲基苯氧基)苯胺 在 盐酸 、 溶剂黄146 、 sodium nitrite 、 二氧化硫 、 copper dichloride 作用下， 以 苯 为溶剂， 生成 2-(对甲苯氧基)苯磺酰氯
  参考文献：
  名称：

  Structure-based design of caspase-1 inhibitor containing a diphenyl ether sulfonamide

  摘要：

  A series of compounds was designed and prepared as inhibitors of interleukin-1 beta converting enzyme (ICE), also known as caspase-1. These inhibitors, which employ a diphenyl ether sulfonamide, were designed to improve potency by forming favorable interactions between the diphenyl ether rings and the prime side hydrophobic region. An X-ray crystal structure of a representative member of the diphenyl ether sulfonamide series bound to the active site of caspase-1 was obtained. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00573-x

文献信息

• Preparation and X-ray structures of 2-[(aryl)iodonio]benzenesulfonates: novel diaryliodonium betaines
  作者：Michael W. Justik、John D. Protasiewicz、James B. Updegraff

  DOI：10.1016/j.tetlet.2009.08.067

  日期：2009.11

  Herein we present a concise preparation and characterization of 2-[(aryl)iodonio]benzenesulfonates. Determination of the X-ray crystal structure reveals a distorted trigonal bipyramidal molecular geometry about iodine and a pseudo-square geometry within the unit cell. Initial experiments point to the promising application of these compounds for unique 2-sulfonyloxyarenes. (C) 2009 Elsevier Ltd. All rights reserved.
• TREATMENT OF SEXUAL DYSFUNCTION WITH BOMBESIN RECEPTOR ANTAGONISTS
  申请人：Warner-Lambert Company LLC

  公开号：EP1333824B1

  公开（公告）日：2005-09-07