Ethyl 2-(2-Amino-4-thiazolyl)-2-oxoacetate

HCID 4356513
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Basic information

CAS
64987-08-2
Standard SMILES
CCOC(=O)C(=O)c1csc(N)n1
InChIKey
XNVRKLCQBZTGNA-UHFFFAOYSA-N
Molecular formula
C7H8N2O3S
Average molar mass
200.22 g/mol
Monoisotopic mass
200.02556312

Overview

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Names & identifiers

Preferred name
Ethyl 2-(2-Amino-4-thiazolyl)-2-oxoacetate
IUPAC
ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetate
English name
Ethyl 2-(2-aminothiazol-4-yl)glyoxylate
Molecular formula
C7H8N2O3S
Molecular weight
200.21

Names & synonyms

Ethyl 2-(2-Amino-4-thiazolyl)-2-oxoacetateRefChem:593665682-387-164987-08-2Ethyl 2-(2-aminothiazol-4-yl)glyoxylateEthyl 2-(2-aminothiazol-4-yl)-2-oxoacetateethyl 2-(2-aminothiazol-4-yl)-2-oxo-acetateethyl 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetateMFCD00010414ethyl (2-amino-1,3-thiazol-4-yl)(oxo)acetateSCHEMBL353584ethyl 2-amino-4-thiazole glyoxylate
Show more names
EAOACEFA-006)-2-oxoacetate2-(2-Amino-4-thiazoLEthyl-2-(2-AMinothiazol-4-yl)-Ethyl Aminothiazole GlyoxylateEthyl 2-amino-α-oxo-4-thiazoleacetateEthyl 2-(2-aMinothiozole-4-yl)glyoxylate
CS-W002058ethyl 2-(2-amino(1,3-thiazol-4-yl))-2-oxoacetateEthyl 2-amino-thiazol-4-yl-glyoxylateETHYL 2-AMINO-4-THIAZOLEGLYOXYLATEEthyl 2-(2-aminothiazol-4-yl) glyoxylateEAOA pound masculineEthyl-2-(2-Aminothiazol-4-yl)-2-Oxo-Acetateethyl (2-amino-4-thiazolyl)ETHYL-2-(2-AMINOTHIAZOL-4-YL)-2-OXO-ACETATE

Database identifiers

CAS
64987-08-2
PubChem CID
4356513
DTXSID
DTXSID00402308
EC Number
682-387-1

Properties

Computed structural properties

XLogP
1
Topological polar surface area
111 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
13

Physicochemical properties

Melting point
150 · 150-152 °C(lit.)
Boiling point
361.6 · 361.6±15.0 °C(Predicted)
Density
1.405 · 1.405±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility
DMSO (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
2934100090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-37/39

Chemistry & industry

Applications

UsesEthyl 2-(2-Aminothiazol-4-yl)glyoxylate is used in the synthesis of antibacterial compounds. Also used in the synthesis of antiallergic and antiinflammatory agents, as glycolic amide derivatives.

Suppliers100 total

上海莉凯化工技术有限公司16628776521 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

Related reactions

111 records
New reaction record

Compound notes

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