neopentyl 3-chloropropanesulfonate | 21297-85-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: neopentyl 3-chloropropanesulfonate
• 英文别名: 2,2-dimethylpropyl 3-chloropropane-1-sulfonate
• CAS: 21297-85-8
• 化学式: C₈H₁₇ClO₃S
• 分子量: 228.74
• InChiKey: PIJNSKNASHQXJC-UHFFFAOYSA-N

物化性质

• 沸点：
  328.8±25.0 °C(Predicted)
• 密度：
  1.147±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  neopentyl 3-chloropropanesulfonate 在 potassium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 120.0h， 生成 Cyclopropanesulfonic acid 2,2-dimethyl-propyl ester
  参考文献：
  名称：

  trans-1-(Arylsulfonyl)-2-arylcyclopropanes and derivatives of cyclopropanesulfonic acid

  摘要：

  DOI：

  10.1021/jo01263a022
• 作为产物：
  描述：

  新戊醇 、 3-氯丙烷磺酰氯 在 三乙胺 作用下， 生成 neopentyl 3-chloropropanesulfonate
  参考文献：
  名称：

  trans-1-(Arylsulfonyl)-2-arylcyclopropanes and derivatives of cyclopropanesulfonic acid

  摘要：

  DOI：

  10.1021/jo01263a022

文献信息

• Structure–activity relationships of bioisosteric replacement of the carboxylic acid in novel androgen receptor pure antagonists
  作者：Hitoshi Yoshino、Haruhiko Sato、Kazutaka Tachibana、Takuya Shiraishi、Mitsuaki Nakamura、Masateru Ohta、Nobuyuki Ishikura、Masahiro Nagamuta、Etsuro Onuma、Toshito Nakagawa、Shinichi Arai、Koo-Hyeon Ahn、Kyung-Yun Jung、Hiromitsu Kawata

  DOI：10.1016/j.bmc.2010.03.036

  日期：2010.5

  A series of 5,5-dimethylthiohydantoin derivatives were synthesized and evaluated for androgen receptor pure antagonistic activities for the treatment of hormone refractory prostate cancer. CH4933468 (32d) with a sulfonamide side chain not only exhibited antagonistic activity with no agonistic activity in the reporter gene assay but also inhibited the growth of bicalutamide-resistant cell lines. This compound also inhibited tumor growth of the LNCaP xenograft in mice dose-dependently. (c) 2010 Elsevier Ltd. All rights reserved.
• ω-Aminooxyalkanesulfonic acids. Novel nucleophilic sulfoalkylation reagents
  作者：Maciej Adamczyk、Yon-Yih Chen、Phillip G Mattingly

  DOI：10.1016/s0040-4039(01)00695-5

  日期：2001.6

  Electrophilic sulfoalkylation reagents, such as 1,3-propanesultone, are widely used to enhance the hydrophilicity of polymers, proteins, etc. In this report, a series of nucleophilic sulfoalkylation reagents [NH2O(CH2)(n)SO3H, n = 2, 3, 4] were prepared from the corresponding chloroalkylsulfonyl chlorides. (C) 2001 Elsevier Science Ltd. All rights reserved.
• trans-1-(Arylsulfonyl)-2-arylcyclopropanes and derivatives of cyclopropanesulfonic acid
  作者：William E. Truce、Christian T. Goralski

  DOI：10.1021/jo01263a022

  日期：1969.11