1-Benzyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate

HCID 15043278

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Grundinformationen

CAS: 51814-19-8
Standard-SMILES: CCOC(=O)C1CN(C(=O)OCc2ccccc2)CC1=O
InChIKey: FRNZCPLVDNHRIH-UHFFFAOYSA-N
Summenformel: C15H17NO5
Durchschnittliche Molmasse: 291,3 g/mol
Monoisotopische Masse: 291,11067264

Namen und Bezeichner

Bevorzugter Name: 1-Benzyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate
IUPAC: 1-O-benzyl 3-O-ethyl 4-oxopyrrolidine-1,3-dicarboxylate
Englischer Name: Ethyl N-Cbz-4-Oxopyrrolidine-3-carboxylate
Summenformel: C15H17NO5
Molmasse: 291.3

Namen und Synonyme

51814-19-81-BENZYL 3-ETHYL 4-OXOPYRROLIDINE-1,3-DICARBOXYLATEDTXSID50567416RefChem:227873DTXCID00518190867-377-9ETHYL N-CBZ-4-OXOPYRROLIDINE-3-CARBOXYLATEMFCD098788161-O-benzyl 3-O-ethyl 4-oxopyrrolidine-1,3-dicarboxylateEthyl 1-N-Cbz-4-oxo-pyrrolidine-3-carboxylate1,3-Pyrrolidinedicarboxylic acid, 4-oxo-, 3-ethyl 1-(phenylmethyl) ester4-Oxo-pyrrolidine-1,3-dicarboxylic acid 1-benzyl ester 3-ethyl ester

Weitere Namen anzeigen

N-Cbz-4-oxy-3-pyrolidinethyl formate1-Cbz-4-oxo-3-Pyrrolidinecarboxylic acid ethyl esterEthyl 1-Cbz-4-oxopyrrolidine-3-carboxylate - [E14671]Ethyl N-benzyloxycarbonyl-4-oxopyrrolidine-3-carboxylate, 97%4-Oxopyrrolidine-1,3-dicarboxylic acid 1-benzyl ester 3-ethyl ester

Upadacitinib Impurity 52Ethyl 1-N-CEthyl 1-Cbz-4-oxopyrrolidine-3-carboxylateSCHEMBL3185364O1-benzyl O3-ethyl 4-oxopyrrolidine-1,3-dicarboxylateFRNZCPLVDNHRIH-UHFFFAOYSA-NAKOS015855351CS-W003680

Datenbank-Bezeichner

CAS: 51814-19-8
PubChem CID: 15043278
DTXSID: DTXSID50567416
EC Number: 867-377-9
Nikkaji: J1.345.901K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 72,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 6
Schwere Atome: 21
Formalladung: 0
Komplexität: 403

Physikochemische Eigenschaften

Siedepunkt: 433.1 · 433.1±45.0 °C(Predicted)
Dichte: 1.273 · 1.273±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
pka: 11.17 · 11.17±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.

Warning

H315 (50%): 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.