4-hydroxymethyl-3,5-dimethylisothiazole | 53064-43-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-hydroxymethyl-3,5-dimethylisothiazole
• 英文别名: (3,5-dimethyl-isothiazol-4-yl)-methanol；3,5-Dimethyl-4-isothiazolmethanol；(3,5-dimethyl-1,2-thiazol-4-yl)methanol
• CAS: 53064-43-0
• 化学式: C₆H₉NOS
• 分子量: 143.21
• InChiKey: IDMQGDPNBZRLAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  61.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-hydroxymethyl-3,5-dimethylisothiazole 在 sodium azide 、 四溴化碳 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以83%的产率得到4-(Azidomethyl)-3,5-dimethyl-1,2-thiazole
  参考文献：
  名称：

  Design and synthesis of highly potent HIV protease inhibitors with activity against resistant virus

  摘要：

  A series of highly potent HIV protease inhibitors have been designed and synthesized. These compounds are active against various clinical viral isolates as well as wild-type virus. The synthesis and biological activity of these HIV protease inhibitors are discussed. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00262-2
• 作为产物：
  描述：

  5-氨基-3-甲基异噻唑-4-羧酸乙酯 在 bis-triphenylphosphine-palladium(II) chloride 、 lithium aluminium tetrahydride 、 碘 、 亚硝酸异戊酯 作用下， 以 四氢呋喃 、 氯仿 、 甲苯 为溶剂， 生成 4-hydroxymethyl-3,5-dimethylisothiazole
  参考文献：
  名称：

  Design and synthesis of highly potent HIV protease inhibitors with activity against resistant virus

  摘要：

  A series of highly potent HIV protease inhibitors have been designed and synthesized. These compounds are active against various clinical viral isolates as well as wild-type virus. The synthesis and biological activity of these HIV protease inhibitors are discussed. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00262-2

文献信息

• Pharmacologically active guanidine compounds
  申请人：Smith Kline & French Laboratories Limited

  公开号：US03950333A1

  公开（公告）日：1976-04-13

  The compounds are substituted thioalkyl-, aminoalkyl- and oxyalkyl-guanidines which are inhibitors of histamine activity.

  这些化合物是取代的硫代烷基、氨基烷基和氧烷基胍，它们是组胺活性的抑制剂。
• Pharmacologically active thiourea and urea compounds
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04151288A1

  公开（公告）日：1979-04-24

  The compounds are substituted thioalkyl-, aminoalkyl- and oxyalkyl-thioureas and ureas which are inhibitors of histamine activity.

  这些化合物是取代的硫代烷基、氨基烷基和氧烷基硫脲和脲，它们是组胺活性的抑制剂。
• Pharmacologically active guanidine compounds in compositions and methods
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04154844A1

  公开（公告）日：1979-05-15

  The compounds are substituted thioalkyl-, aminoalkyl- and oxyalkyl-guanidines which are inhibitors of histamine activity.

  这些化合物是替代了硫代烷基、氨基烷基和氧基烷基的胍，它们是组胺活性的抑制剂。
• Pharmacologically active thiourea and urea compositions and methods of
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04226874A1

  公开（公告）日：1980-10-07

  The compounds are substituted thioalkyl-, aminoalkyl- and oxyalkyl-thioureas and ureas which are inhibitors of histamine activity.

  这些化合物是取代的硫代烷基、氨基烷基和氧烷基硫脲和脲，它们是组织胺活性的抑制剂。
• Pharmacologically active triazole and thiadiazole thiourea and urea
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04230865A1

  公开（公告）日：1980-10-28

  The compounds are substituted thioalkyl-, aminoalkyl- and oxyalkyl-thioureas and ureas which are inhibitors of histamine activity.

  这些化合物是取代的硫代烷基，氨基烷基和氧代烷基硫脲和脲，它们是组胺活性的抑制剂。