2-Pyrazinecarboxylic acid, 5-methyl-, methyl ester

HCID 465065

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Grundinformationen

CAS: 41110-33-2
Standard-SMILES: COC(=O)c1cnc(C)cn1
InChIKey: CRBOSZMVDHYLJE-UHFFFAOYSA-N
Summenformel: C7H8N2O2
Durchschnittliche Molmasse: 152,15 g/mol
Monoisotopische Masse: 152,0585775

Namen und Bezeichner

Bevorzugter Name: 2-Pyrazinecarboxylic acid, 5-methyl-, methyl ester
IUPAC: methyl 5-methylpyrazine-2-carboxylate
Englischer Name: METHYL 5-METHYLPYRAZINE-2-CARBOXYLATE
Summenformel: C7H8N2O2
Molmasse: 152.15

Namen und Synonyme

41110-33-22-pyrazinecarboxylic acid, 5-methyl-, methyl esterRefChem:483326620-310-5methyl 5-methylpyrazine-2-carboxylateMFCD041169102-Pyrazinecarboxylicacid, 5-methyl-, methyl ester5-methylpyrazine-2-carboxylic acid methyl esterPyrazinecarboxylic acid, 5-methyl-, methyl esterMethyl 5-mehtylpyrazine-2-carboxylateMETHYL5-METHYLPYRAZINE-2-CARBOXYLATE5-Methyl-pyrazine-2-carboxylic acid methyl ester

Weitere Namen anzeigen

Glipizide Impurity 455-Methylpyrazinecarboxylic5-Methylpyrazine-2-carboxylate3,5-dimethyl-2-pyrazinecarboxylate2-Methyl-5-(methoxycarbonyl)pyrazineMethyl 5-methyl-2-pyrazinecarboxylateMETHYL-2-METHYL-PYRAZINE-5-CARBOXYLATE5-Methylpyrazinecarboxylic acid methyl ester2-Methyl-5-pyrazinecarboxylic acid methyl ester

Acipimox impurity 20methyl 5-methylpyrazine-CHEMBL115764SCHEMBL1858691DTXSID90332766CRBOSZMVDHYLJE-UHFFFAOYSA-N2-methoxycarbonyl-5-methylpyrazineALBB-027674

Datenbank-Bezeichner

CAS: 41110-33-2
PubChem CID: 465065
DTXSID: DTXSID90332766
ChEMBL: CHEMBL115764
EC Number: 620-310-5
Nikkaji: J419.537J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 52,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 149

Experimentelle und physikochemische Eigenschaften

LogP0.17

Physikochemische Eigenschaften

Schmelzpunkt: 92 °C · 92 °C
Siedepunkt: 234.1 · 234.1±35.0 °C(Predicted)
Dichte: 1.169 · 1.169±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: Dichloromethane, Methanol
Aggregatzustand: Solid
pka: -0.23 · -0.23±0.10(Predicted)
InChI: InChI=1S/C7H8N2O2/c1-5-3-9-6(4-8-5)7(10)11-2/h3-4H,1-2H3
InChIKey: CRBOSZMVDHYLJE-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC=C(C)N=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H315 (75%): 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 07-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19667

Hazard Classes and CategoriesSkin Irrit. 2 (75%)

Sicherheitsdaten

hs_code: 2933998090

Chemie und Industrie

Anwendungen

VerwendenMethyl 5-methylpyrazine-2-carboxylate is an intermediate in the synthesis of 4-[β-(5-Methylpyrazinyl-2-carboxamido)ethyl]benzene Sulfonamide which itself is an intermediate in the synthesis of Glipizide (G410225).