Ethyl-2-formamido-α-oxothiazol-4-acetat

Ethyl 2-(formylamino)-alpha-oxo-4-thiazoleacetate

HCID 2733245CAS 64987-03-7

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Grundinformationen

Standard-SMILES: CCOC(=O)C(=O)c1csc(NC=O)n1
InChIKey: NTACMHVXGGGRQU-UHFFFAOYSA-N
Summenformel: C8H8N2O4S
Durchschnittliche Molmasse: 228,23 g/mol
Monoisotopische Masse: 228,02047774

Namen und Bezeichner

Bevorzugter Name: Ethyl 2-(formylamino)-alpha-oxo-4-thiazoleacetate
IUPAC: ethyl 2-(2-formamido-1,3-thiazol-4-yl)-2-oxoacetate
Lokaler Name: Ethyl-2-formamido-α-oxothiazol-4-acetat
Englischer Name: ETHYL 2-(2-FORMYLAMINO-1,3-THIAZOL-4-YL)-2-OXOACETATE
Summenformel: C8H8N2O4S
Molmasse: 228.23

Namen und Synonyme

64987-03-7Ethyl 2-formamido-alpha-oxothiazol-4-acetateEthyl 2-(formylamino)-alpha-oxo-4-thiazoleacetateRefChem:593998265-299-4Ethyl 2-(2-formamidothiazol-4-yl)-2-oxoacetateethyl 2-(formylamino)-4-thiazoleglyoxylateETHYL 2-(2-FORMYLAMINO-1,3-THIAZOL-4-YL)-2-OXOACETATEethyl 2-(2-formamido-1,3-thiazol-4-yl)-2-oxoacetateMFCD00010412Ethyl (2-formamido-1,3-thiazol-4-yl)glyoxylateDTXSID6057794

Weitere Namen anzeigen

EFTGLABOTEST-BB LT00441209Ethyl-2-(2-ForMylaMinothiazol-ethyl 2-formamido-α-oxothiazol-4-acetateethyl 2-formamido-a-oxothiazol-4-acetateethyl 2-(formylamino)-4-thiazoleglyoxalateETHYL 2-(FORMYLAMINO)THIAZOL-4-YLGLYOXYLATEEthyl2-(2-formamidothiazol-4-yl)-2-oxoacetate

ethyl 2-(2-formylaminothiazol-4-yl)glyoxylateEthyl [2-(formylamino)-1,3-thiazol-4-yl](oxo)acetateethyl (2-formamido-1,3-thiazol-4-yl)(oxo)acetate2-(Formylamino)-a-oxo-4-thiazoleacetic Acid Ethyl Esterethyl 2-(2-carbonylamino(1,3-thiazol-4-yl))-2-oxoacetate(2-Formylaminothiazol-4-yl)-oxo-acetic acid ethyl esterEINECS 265-299-4E7JB53S9QE

Datenbank-Bezeichner

CAS: 64987-03-7
PubChem CID: 2733245
DTXSID: DTXSID6057794
ChEMBL: CHEMBL3561164
UNII: E7JB53S9QE
EC Number: 265-299-4
Nikkaji: J286.620J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 114 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 5
Schwere Atome: 15
Formalladung: 0
Komplexität: 271

Physikochemische Eigenschaften

Schmelzpunkt: 232 · 232-234 °C
Siedepunkt: 381.3 · 381.3±34.0 °C(Predicted)
Dichte: 1.515 · 1.5150 (rough estimate)
Brechungsindex: 1.569 · 1.5690 (estimate)
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly, Heated), DMSO (Slightly)
pka: 8.11 · 8.11±0.70(Predicted)
Aggregatzustand: Solid
Farbe: Light Yellow
CAS Datenbank: 64987 · 64987-03-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (23.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 4-Thiazoleacetic acid, 2-(formylamino)-.alpha.-oxo-, ethyl ester

Status: Active Update: 20-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21360

Hazard Classes and CategoriesAcute Tox. 4 (23.1%)

Sicherheitsdaten

hs_code: 29341000
risk_code: 36/37/38-22
hazard_code: Xn,Xi
safety_code: 36/37/39-26-37/39

Chemie und Industrie

Anwendungen

VerwendenEthyl 2-(2-Formamidothiazol-4-yl)-2-oxoacetate is an intermediate formed in the synthesis of Cefixime Ethyl Ester Sodium Salt (C242830), an ester impurity of the third generation cephalosporin antibiotic, Cefixime (C242800).