Tert-butyl 7-bromo-4-oxo-3,4-dihydroquinoline-1(2h)-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- CAS
1187927-67-8- Standard SMILES
CC(C)(C)OC(=O)N1CCC(=O)c2ccc(Br)cc21- InChIKey
KWUVVIPLFNGFMD-UHFFFAOYSA-N- Molecular formula
- C14H16BrNO3
- Average molar mass
- 326.19 g/mol
- Monoisotopic mass
- 325.03136
Names & identifiers
- Preferred name
- Tert-butyl 7-bromo-4-oxo-3,4-dihydroquinoline-1(2h)-carboxylate
- IUPAC
- tert-butyl 7-bromo-4-oxo-2,3-dihydroquinoline-1-carboxylate
- English name
- tert-butyl 7-broMo-4-oxo-2,3-dihydroquinoline-1-carboxylate
- Molecular formula
- C14H16BrNO3
- Molecular weight
- 326.19
Names & synonyms
1187927-67-8tert-butyl 7-bromo-4-oxo-3,4-dihydroquinoline-1(2h)-carboxylate1-Boc-7-bromo-4-oxo-3,4-dihydro-2H-quinolinetert-butyl 7-bromo-4-oxo-2,3-dihydroquinoline-1-carboxylateMFCD11111219SCHEMBL1815751SCHEMBL29829118DTXSID40724450KWUVVIPLFNGFMD-UHFFFAOYSA-Ntert-Butyl7-bromo-4-oxo-3,4-dihydroquinoline-1(2H)-carboxylateAKOS008901449AT36336
Show more names
1(2H)-Quinolinecarboxylic acid, 7-bromo-3,4-dihydro-4-oxo-, 1,1-dimethylethyl ester
SB31151BS-42552SY355838DB-321684CS-03187427-Bromo-1-Boc-2,3-dihydroquinolin-4(1H)-onetert-butyl 7-bromo-4-oxo-1,2,3,4-tetrahydroquinoline-1-carboxylate
Database identifiers
- CAS
1187927-67-8- PubChem CID
- 57366378
- DTXSID
DTXSID40724450
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Boiling point
- 421.4 · 421.4±45.0 °C(Predicted)
- Density
- 1.435 · 1.435±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -3.11 · -3.11±0.20(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…