(7-氯噻唑并[5,4-d]嘧啶-2-基)异丙胺 | 871266-86-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 1,3-噻唑并[5,4-d]嘧啶
• 中文名称: (7-氯噻唑并[5,4-d]嘧啶-2-基)异丙胺
• 中文别名: E-(二氢呋喃-2-亚乙基)乙酸酯
• 英文名称: (7-chloro[1,3]thiazolo[5,4-d]pyrimidin-2-yl)(isopropyl)amine
• 英文别名: (7-Chlorothiazolo[5,4-D]pyrimidin-2-YL)isopropylamine；7-chloro-N-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
• CAS: 871266-86-3
• 化学式: C₈H₉ClN₄S
• 分子量: 228.705
• InChiKey: MRQQYAMBJJWLRQ-UHFFFAOYSA-N

物化性质

• 沸点：
  334.2±45.0 °C(Predicted)
• 密度：
  1.452±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  78.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4,6-二氯-5-氨基嘧啶 、 异硫氰酸异丙酯 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 16.0h， 以67%的产率得到(7-氯噻唑并[5,4-d]嘧啶-2-基)异丙胺
  参考文献：
  名称：

  Single-Step Syntheses of 2-Amino-7-chlorothiazolo[5,4-d]pyrimidines:  Intermediates for Bivalent Thiazolopyrimidines

  摘要：

  A single-step process for the preparation of 2-amino-7-chlorothiazolo[5,4-d]pyrimidines, 2, was achieved by the reaction of the commercially available 4,6-dichloro-5-aminopyrimidine 1 with isothiocyanates. This mild reaction accommodates a variety of functionalized isothiocyanates and proceeds in good to excellent yields. The utility of such intermediates is exemplified by subsequent reaction with alkyl or arylamine nucleophiles to afford novel, differentially functionalized 2,7-diaminothiazolo[5,4-d]pyrimidines, 3.

  DOI：

  10.1021/jo0517702

文献信息

• Single-Step Syntheses of 2-Amino-7-chlorothiazolo[5,4-<i>d</i>]pyrimidines:  Intermediates for Bivalent Thiazolopyrimidines
  作者：Jian Liu、Raymond J. Patch、Carsten Schubert、Mark R. Player

  DOI：10.1021/jo0517702

  日期：2005.11.1

  A single-step process for the preparation of 2-amino-7-chlorothiazolo[5,4-d]pyrimidines, 2, was achieved by the reaction of the commercially available 4,6-dichloro-5-aminopyrimidine 1 with isothiocyanates. This mild reaction accommodates a variety of functionalized isothiocyanates and proceeds in good to excellent yields. The utility of such intermediates is exemplified by subsequent reaction with alkyl or arylamine nucleophiles to afford novel, differentially functionalized 2,7-diaminothiazolo[5,4-d]pyrimidines, 3.