Ethyl 2-aminothiazole-4-carboxylate 2-氨基噻唑-4-甲酸乙酯

CAS 5398-36-7 MFCD00619079

化学结构图

5398-36-7
SMILES: CCOC(=O)c1csc(N)n1

化学属性

Mol. FormulaC6H8N2O2S
Mol. Weight172
Melting Point178.0 to 182.0 deg-C
Density1.422
TSCANo
Appearance 白色或类白色结晶。

别名和识别编码

Chemical NameEthyl 2-aminothiazole-4-carboxylate
CAS Number5398-36-7
Alfabeta NameETHYLAMINOTHIAZOLECARBOXYLATE 2134-----,
MDL NumberMFCD00619079
EC Number250-023-7
Beilstein Registry Number2384789
Chemical Name Translation2-氨基噻唑-4-甲酸乙酯
Synonym TIMTEC-BB SBB000178 TOSLAB 14869 2-氨基-1,3-噻唑-4-甲酸乙酯 2-AMINO-4-ETHOXYCARBONYLTHIAZOLE ETHYL 2-AMINO-4-THIAZOLECARBOXYLATE 2-氨基噻唑-4-羧酸乙酯 Ethyl-2-Amino-1,3-Thazole-4-Carboxylate 2-氨基-1,3-噻唑-4-羧酸乙酯 Ethyl 2-amino-1,3-thiazole-4-carboxylate ,97% 2-AMINO-4-THIAZOLECARBOXYLIC ACID ETHYL ESTER 2-Aminothiazole-4-ethylformate ETHYL 2-AMINO-4-THIAZOLEFORMATE 2-AMINOTHLAZOLE-4-CARBOXYLIC ACID METHYL ESTER ETHYL 2-AMINO-THIAZOLE-4-CARBOXYLATE HYDROCHLORIDE ETHYL 2-AMINO-1,3-THIAZOLE-4-CARBOXYLATE 2-AMINO-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER 2-氨基噻唑-4-甲酸乙酯 AKOS BB-9218 ETHYL 2-AMINOTHIAZOLE-4-CARBOXYLATE BUTTPARK 33\04-57 {Chemical
InChIKeyXHFUVBWCMLLKOZ-UHFFFAOYSA-N
PubChem Substance ID354334344
Reaxys-RN127456
LabNetwork Molecule IDLN00009532
InChIInChI=1S/C6H8N2O2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3,(H2,7,8)
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分类

  • {SA} Building Blocks, C3 to C7, Chemical Synthesis, Heterocyclic Building Blocks, Thiazoles
  • {KO} Esters
  • {KO} AminesPrimary

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germanynwg
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S37 Wear suitable gloves 戴适当手套；
  • S22 Do not breathe dust 不要吸入粉尘；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Hazard Codes Xi,Xn
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
3
H-bond Donors
1
LogP
8.712000000000001e-001

其他信息

  • Sigma Aldrich:5398-36-7(sigmaaldrich)
  • 2-氨基噻唑-4-甲酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 RH01231EA 2-氨基噻唑-4-甲酸乙酯 ethyl 2-amino-1,3-thiazole-4-carboxylate 10 GR 4470元 2010/06/21 RH01231EB 2-氨基噻唑-4-甲酸乙酯 ethyl 2-amino-1,3-thiazole-4-carboxylate 25 GR 9810元 2010/06/21 RH01231DA 2-氨基噻唑-4-甲酸乙酯 ethyl 2-amino-1,3-thiazole-4-carboxylate 1 GR 540元
  • Acros Organics:ethyl 2-amino-1,3-thiazole-4-carboxylate(5398-36-7)
  • Hazard Note:Irritant
  • MOL 文件:5398-36-7.mol
  • 用途一:用作医药中间体
  • 检测方法:GC,NMR

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

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