ChemicalBook--->CAS DataBase List--->73150-67-1

73150-67-1

73150-67-1 Structure

73150-67-1 Structure
IdentificationMore
[Name]

2-(2-Aminothiazol-4-yl)glyoxylic acid
[CAS]

73150-67-1
[Synonyms]

2-(2-AMINOTHIAZOL-4-YL)-2-OXO-ACETIC ACID
2-(2-AMINOTHIAZOL-4-YL) GLYOXYLIC ACID
ATGA
2-amino-alpha-oxothiazol-4-acetic acid
ATGA:2-(2-AMINOTHIAZOL-4-YL) GLYOXYLIC ACID
2-(2-aminothiazol-4-yl)glyoxylic Acid (ATGA)
2-Amino-α-oxo-4-thiazoleacetic acid
[EINECS(EC#)]

277-301-0
[Molecular Formula]

C5H4N2O3S
[MDL Number]

MFCD00274532
[Molecular Weight]

172.16
[MOL File]

73150-67-1.mol
Chemical PropertiesBack Directory
[Boiling point ]

395.7±24.0 °C(Predicted)
[density ]

1.711±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C(protect from light)
[solubility ]

DMSO
[form ]

Solid
[pka]

1.25±0.54(Predicted)
[color ]

Pale Yellow
[InChI]

InChI=1S/C5H4N2O3S/c6-5-7-2(1-11-5)3(8)4(9)10/h1H,(H2,6,7)(H,9,10)
[InChIKey]

VMASTYPGLHRVNL-UHFFFAOYSA-N
[SMILES]

C1(C(=O)C(=O)O)N=C(N)SC=1
[CAS DataBase Reference]

73150-67-1(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H315-H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard InformationBack Directory
[Uses]

2-Amino-4-thiazoleglyoxylic Acid is an intermediate in synthesizing (6R,7R)-7-(2-(2-Aminothiazol-4-yl)-2-oxoacetamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid (A630310), which is used in the preparation of Cephalosporin C (C258750), an antibiotic used to study the effect of transpeptidase expression, binding, and inhibition on bacterial cell wall mucopeptide synthesis.
[Synthesis]

4-Thiazoleethanethioic acid, 2-amino-α-oxo-, S-methyl ester

89721-50-6

2-(2-Aminothiazol-4-yl)glyoxylic acid

73150-67-1

Under ice bath cooling conditions, 10.1 g of methyl 2-(2-aminothiazol-4-yl)thioacetoxy S-acid (CAS: 89721-50-6) was mixed with 80 mL of water, followed by the addition of 10.6 g of sodium carbonate. The reaction mixture was stirred continuously for 1 h at a maintained ice bath temperature. Upon completion of the reaction, the pH of the reaction mixture was adjusted to 2.5 at the same temperature using 6 N hydrochloric acid. the precipitated crystals were collected by filtration, washed with deionized water and subsequently dried to afford 6.2 g (67.8% yield) of 2-(2-aminothiazol-4-yl)glyoxalic acid with a melting point of more than 200°C. The infrared spectra of the product (KBr pressed slice) showed a νC=O absorption peak at 1660 cm?1.

[References]

[1] Patent: US4563534, 1986, A
Spectrum DetailBack Directory
[Spectrum Detail]

2-(2-Aminothiazol-4-yl)glyoxylic acid(73150-67-1)1HNMR
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