Thiazole-4-carboxylic acid 噻唑-4-甲酸

CAS 3973-08-8 MFCD00623589

化学结构图

3973-08-8
SMILES: O=C(O)C1CSCN1

化学属性

Mol. FormulaC4H3NO2S
Mol. Weight129.14
Melting Point195-199°C
Appearance 噻唑-4-羧酸是无色固体，m.p.191℃。不溶于水。
Boiling Point319.2°C at 760 mmHg

别名和识别编码

Chemical NameThiazole-4-carboxylic acid
CAS Number3973-08-8
Alfabeta NameTHIAZOLECARBOXYLICACID 134---,
MDL NumberMFCD00623589
Synonym 4-Thiazolecarboxylic acid {LY} 4-Thiazolecarboxylic acid {} {LY} 4-Thiazolecarboxylic acid {} {} {LY} 4-Thiazolecarboxylic acid {} {} {} {LY} 4-Thiazolecarboxylic acid {} {} {} {} {LY} 4-Thiazolecarboxylic acid {} {} {} {} {} {LY} 4-Thiazolecarboxylic acid {} {} {} {} {} {} {LY} 4-Thiazolecarboxylic acid {} {} {} {} {} {} {} {LY} 4-Thiazolecarboxylic acid {} {} {} {} {} {} {} {} {LY} 4-Thiazolecarboxylic acid {} {} {} {} {} {} {} {} {} {LY} 4-Thiazolecarboxylic acid {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 4-Thiazolecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Thiazolecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Thiazolecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Thiazolecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Thiazolecarboxylic acid {} {} {} {} {} {
PubChem Substance ID304271
Chemical Name Translation噻唑-4-甲酸
Beilstein Registry Number111080
LabNetwork Molecule IDLN00008882
InChIInChI=1S/C4H3NO2S/c6-4(7)3-1-8-2-5-3/h1-2H,(H,6,7)
Canonical SMILESO=C(O)C1=CSC=N1
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分类

  • Sulfur & Selenium Compounds
  • Heterocycles
  • {Chemicalbook} 农药中间体: 杀菌剂中间体: 苯并咪唑类杀菌剂
  • Miscellaneous Reagents
  • {SNA} Building Blocks, C3 to C7, Chemical Synthesis, Heterocyclic Building Blocks, Thiazoles

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
Hazard statements
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xi
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Risk Statements
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • 用途二:噻唑-4-羧酸是杀菌剂噻菌灵的中间体。
  • 上游原料:丙酮酸 --> 乙二醇二甲醚 --> 溴代丙酮酸甲酯 --> 硫代甲酰胺 --> 噻唑-4-羧酸甲酯
  • 方法一:其制备方法是用甲酰胺与P 2 S 5 在乙二醇二甲基醚(CH 3 OCH 2 CH 2 OCH 3 )中反应而得到硫代甲酰胺(HCSNH 2 )，再和卤代丙酮酸酯反应而得到产品。将甲酰胺滴加到P 2 S 5 分散在乙二醇二甲基醚溶剂中，温度要低于40℃，大约30min，反应混合物在室温搅拌5h，然后将溴代丙酮酸甲酯在20～30℃滴加到上述溶液中，时间约1h，然后在室温搅拌3h，得到噻唑-4-羧酸甲酯，进一步水解得到产物。
  • Hazard Note:Irritant
  • 用途一:用作医药、农药中间体，有机合成试剂
  • MOL 文件:3973-08-8.mol
  • Sigma Aldrich:3973-08-8(sigmaaldrich)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiazoles 噻唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiazoles 噻唑
  5. C3 to C7 - Thiazoles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Heterocyclic Acids 杂环酸
  5. Thiazole Acids

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