2-Mercapto-4-methyl-5-thiazoleacetic acid

Product Name2-Mercapto-4-methyl-5-thiazoleacetic acid
CAS34272-64-5
MFC6H7NO2S2
MW189.26
EINECS251-905-4
MOL File34272-64-5.mol

Chemical Properties

Melting point	207 °C (dec.) (lit.)
Boiling point	363.4±44.0 °C(Predicted)
Density	1.52±0.1 g/cm3(Predicted)
storage temp.	Sealed in dry,Room Temperature
solubility	soluble in DMSO, Methanol
pka	4.09±0.10(Predicted)
form	powder to crystal
color	White to Light yellow
λmax	320nm(H2O)(lit.)
InChI	1S/C6H7NO2S2/c1-3-4(2-5(8)9)11-6(10)7-3/h2H2,1H3,(H,7,10)(H,8,9)
InChIKey	KYBOCQHDFLVQIB-UHFFFAOYSA-N
SMILES	Cc1nc(S)sc1CC(O)=O
CAS DataBase Reference	34272-64-5(CAS DataBase Reference)

Safety Information

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36
RIDADR	UN 3335
WGK Germany	3
RTECS	XJ1921000
HS Code	2934.10.2000
Storage Class	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3
Toxicity	mouse,LD50,intravenous,1680mg/kg (1680mg/kg),Therapie. Vol. 26, Pg. 497, 1971.

Usage And Synthesis

Chemical Properties

white to light yellow crystal powde

Uses

2-Mercapto-4-methyl-5-thiazoleacetic acid may be used as a capping agent in the preparation of fused spherical gold nanoparticles. It may also be used in the synthesis of eight-tin macrocyclic complex (a 40-membered macrocycle containing two distannoxane ladders).

General Description

2-Mercapto-4-methyl-5-thiazoleacetic acid is a thiazole derivative. It participates in the preparation of dinuclear [Au-(O₄NCS₂)]₂ and tetranuclear [Au(SSCOOH)]₄ complexes.

Synthesis

513-74-6

123-76-2

2-Mercapto-4-methyl-5-thiazoleacetic acid

34272-64-5

To the reactor were added 100 kg of acetylpropionic acid and 1000 L of carbon tetrachloride. Under stirring conditions, 176 kg of sodium bromide was added, followed by a slow dropwise addition of 260 kg of hydrogen peroxide solution. The reaction mixture was heated to 60 °C and maintained at this temperature for 2.5 hours. Upon completion of the reaction, water was added for washing to separate the organic and aqueous phases. The aqueous phase was treated as waste water. To the organic phase, 75 kg of ammonium dithiocarbamate, 1000 kg of water and 22 kg of sodium carbonate were added directly to the organic phase to carry out the cyclization reaction. After completion of the reaction, the aqueous phase was acidified with acid at pH=1.5 to precipitate the product. Finally, 132 kg of 2-mercapto-4-methyl-5-thiazoleacetic acid was obtained with 99.92% purity and 80.99% yield.

References

[1] Patent: CN107602503, 2018, A. Location in patent: Paragraph 0024; 0025; 0026; 0027; 0028; 0029-0034

2-Mercapto-4-methyl-5-thiazoleacetic acid

Chemical Properties

Safety Information

Usage And Synthesis

Preparation Products And Raw materials

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