Ethyl 2-amino-4-methylthiazole-5-carboxylate Chemical Properties

Melting point:

176-180 °C(lit.)

Boiling point:

313.1±22.0 °C(Predicted)

Density 

1.283±0.06 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 2–8 °C

solubility 

DMF: 20 mg/ml; DMSO: 20 mg/ml; Ethanol: 20 mg/ml; Ethanol:PBS pH 7.2 (1:1): 0.5 mg/ml

form 

powder to crystal

pka

3.90±0.10(Predicted)

color 

White to Almost white

Water Solubility 

insoluble

InChI

InChI=1S/C7H10N2O2S/c1-3-11-6(10)5-4(2)9-7(8)12-5/h3H2,1-2H3,(H2,8,9)

InChIKey

WZHUPCREDVWLKC-UHFFFAOYSA-N

SMILES

S1C(C(OCC)=O)=C(C)N=C1N

CAS DataBase Reference

7210-76-6(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

36/37/38-22

Safety Statements 

26-36-36/37/39-22

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29349990

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

Ethyl 2-amino-4-methylthiazole-5-carboxylate Usage And Synthesis

Chemical Properties

off-white powder

Uses

Ethyl 2-amino-4-methylthiazole-5-carboxylate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

Synthesis

Thiourea (2.55 g, 0.033 mol, 1.1 eq.) was added to a solution of ethyl 2-chloro-3-oxobutanoate (5 g, 0.030 mol, 1 eq.) in ethanol (25 mL) at 25 °C. The reaction mixture was heated to reflux and kept for 3 hours. Upon completion of the reaction, the reaction mixture was slowly cooled to 25 °C under continuous stirring to induce precipitation of the product as a white solid. The precipitated solid was collected by filtration through a Büchner funnel and dried under vacuum to afford ethyl 2-amino-4-methylthiazole-5-carboxylate (4.8 g, 64% yield) as a final fine white powder.

References

[1] Patent: CN108570017, 2018, A. Location in patent: Paragraph 0030; 0031; 0033; 0035; 0037
[2] Chemical Biology and Drug Design, 2016, vol. 87, # 4, p. 508 - 516
[3] Patent: CN102942565, 2016, B. Location in patent: Paragraph 0028-0031; 0087-0088
[4] Archiv der Pharmazie, 2017, vol. 350, # 2,
[5] Acta Poloniae Pharmaceutica - Drug Research, 2017, vol. 74, # 6, p. 1699 - 1709

Ethyl 2-amino-4-methylthiazole-5-carboxylate(7210-76-6)Related Product Information

• 2-AMINOTHIAZOLE-5-CARBOXYLIC ACID
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• Ethylbenzene
• 2-Amino-4-methylthiazole
• RESMETHRIN
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• Kresoxim-methyl
• Tris(hydroxymethyl)aminomethane
• 4-Methylthiazole-5-carboxylic acid