Basic information
- CAS
61450-21-3- Standard SMILES
CCCCOC(=O)C1CCC(=O)N1- InChIKey
QBBAJUQOYIURHA-UHFFFAOYSA-N- Molecular formula
- C9H15NO3
- Average molar mass
- 185.22 g/mol
Names & identifiers
- Preferred name
- Butyl 5-oxopyrrolidine-2-carboxylate
- IUPAC
- butyl 5-oxopyrrolidine-2-carboxylate
- English name
- butyl 5-oxo-DL-prolinate
- Molecular formula
- C9H15NO3
- Molecular weight
- 185.22
Names & synonyms
butyl 5-oxopyrrolidine-2-carboxylate61450-21-3Butyl 5-oxo-DL-prolinateEINECS 262-802-9butyl 2-pyrrolidone-5-carboxylate5-Oxo-proline Butyl EsterSCHEMBL813807CHEMBL2270703DTXSID50977016QBBAJUQOYIURHA-UHFFFAOYSA-NLCA45021SBB057615
Show more names
Pyr-OBu5-Oxo-DL-prolinebutyl(±)-5-Oxoprolinebutyl5-?Oxo-?proline Butyl EsterProline, 5-oxo-, butyl ester
AKOS006230059DA-34996ST100292DB-070987NS00124597ST51006693Butyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylatebutyl 5-oxoprolinate, Butyl L-pyroglutamate, Butyl 5-oxo-L-prolinate, 440329_ALDRICH, proline, 5-oxo-, butyl ester, EINECS 225-568-9, CID107609, ZINC04976224, Butyl (S)-(-)-2-pyrrolidone-5-carboxylate, 4931-68-4, InChI=1/C9H15NO3/c1-2-3-6-13-9(12)7-4-5-8(11)10-7/h7H,2-6H2,1H3,(H,10,11
Database identifiers
- CAS
61450-21-3- PubChem CID
- 4460732
- DTXSID
DTXSID50977016- ChEMBL
CHEMBL2270703- EC Number
- 262-802-9
- Nikkaji
- J1.711.805F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Boiling point
- 165 °C · 165 °C(Press: 1.7 Torr)
- Density
- 1.1101 g/cm³ · 1.1101 g/cm³
- solubility
- Chloroform, Dichloromethane, Ethyl Acetate
- pka
- 14.64 · 14.640±0.40(predicted)
- form
- Oil
- color
- Colorless
Chemistry & industry
Applications
Uses5-Oxo-proline Butyl Ester is an intermediate in synthesizing 5’-Oxo Amisulpride (O847100), an impurity of the dopamine receptor antagonist Amisulpride (A633250).
Suppliers2 total
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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