2-methylsulfanyl-thiazole-4-carbaldehyde | 41029-86-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-methylsulfanyl-thiazole-4-carbaldehyde
• 英文别名: 2-Methylthio-4-formylthiazol；4-Thiazolecarboxaldehyde, 2-(methylthio)-；2-methylsulfanyl-1,3-thiazole-4-carbaldehyde
• CAS: 41029-86-1
• 化学式: C₅H₅NOS₂
• 分子量: 159.233
• InChiKey: XPCKVGWEZZSIMC-UHFFFAOYSA-N

物化性质

• 沸点：
  300.0±34.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  83.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-methylsulfanyl-thiazole-4-carbaldehyde 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Regioselective synthesis of fluoroaldols. Studies toward fluoroepothilones syntheses via antibody catalysis

  摘要：

  A general method for the synthesis of fluoromethyl aldols has been developed. Tributylboron enolates of fluoroacetone react with thiazole aldehydes (6) to provide fluoromethylaldols (4) regioselectively in high yields. Regioisomeric fluoroaldols (5) are produced as a 1:1 isomeric mixture of the erythro and three products via a two-step procedure: first, aldol reaction with Weinreb amide and then Grignard reaction. (C) 2000 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(00)01469-6
• 作为产物：
  描述：

  2-[methylsulfanyl-(2-methylsulfanyl-thiazol-4-yl)-methoxy]-ethanol 在 对甲苯磺酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 15.0h， 生成 2-methylsulfanyl-thiazole-4-carbaldehyde
  参考文献：
  名称：

  Transmission of substituent effects in heterocyclic systems. Rates of solvolysis of substituted 1-(4-thiazolyl)ethyl chlorides

  摘要：

  DOI：

  10.1021/jo00959a017

文献信息

• [EN] EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES THEREOF<br/>[FR] ANALOGUES D'ÉPOTHILONE, PROCÉDÉS DE SYNTHÈSE, PROCÉDÉS DE TRAITEMENT, ET CONJUGUÉS MÉDICAMENTEUX DE CEUX-CI
  申请人：UNIV RICE WILLIAM M

  公开号：WO2017066606A1

  公开（公告）日：2017-04-20

  In one aspect, the present disclosure provides epothilone analogs of the formula (I) wherein the variables are as defined herein. In another aspect, the present disclosure also provides methods of preparing the compounds disclosed herein. In another aspect, the present disclosure also provides pharmaceutical compositions and methods of use of the compounds disclosed herein. Additionally, drug conjugates with cell targeting moieties of the compounds are also provided.

  在一个方面，本公开提供了公式（I）中变量如本文所定义的紫杉醇类似物。在另一个方面，本公开还提供了制备本文披露的化合物的方法。在另一个方面，本公开还提供了药物组合物和使用本文披露的化合物的方法。此外，还提供了具有细胞靶向基团的药物共轭物。
• Regioselective synthesis of fluoroaldols. Studies toward fluoroepothilones syntheses via antibody catalysis
  作者：Subhash C. Sinha、Shantanu Dutta、Jian Sun

  DOI：10.1016/s0040-4039(00)01469-6

  日期：2000.10

  A general method for the synthesis of fluoromethyl aldols has been developed. Tributylboron enolates of fluoroacetone react with thiazole aldehydes (6) to provide fluoromethylaldols (4) regioselectively in high yields. Regioisomeric fluoroaldols (5) are produced as a 1:1 isomeric mixture of the erythro and three products via a two-step procedure: first, aldol reaction with Weinreb amide and then Grignard reaction. (C) 2000 Published by Elsevier Science Ltd.
• Transmission of substituent effects in heterocyclic systems. Rates of solvolysis of substituted 1-(4-thiazolyl)ethyl chlorides
  作者：Donald S. Noyce、Steven A. Fike

  DOI：10.1021/jo00959a017

  日期：1973.9