Benzyl 5-bromo-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate

Base Information

Chemical Name:Benzyl 5-bromo-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
CAS No.:865996-16-3
Molecular Formula:C13H12BrNO3
Molecular Weight:310.14
Hs Code.:2933399090
DSSTox Substance ID:DTXSID80470080
Nikkaji Number:J2.232.324E
Wikidata:Q82298054
Mol file:865996-16-3.mol

Synonyms:Benzyl 5-bromo-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate;865996-16-3;benzyl 5-bromo-4-oxo-2,3-dihydropyridine-1-carboxylate;DTXSID80470080;Y11657;Benzyl5-bromo-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate

Suppliers and Price of Benzyl 5-bromo-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
Benzyl5-bromo-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate 95+%
1g
$ 589.00

Chemenu
benzyl5-bromo-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate 95%
1g
$ 557.00

Alichem
Benzyl5-bromo-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
250mg
$ 247.52

Alichem
Benzyl5-bromo-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
100mg
$ 150.49

Total 10 raw suppliers

Chemical Property of Benzyl 5-bromo-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate

Chemical Property:

Boiling Point:406.0±45.0 °C(Predicted)
PKA:-6.08±0.40(Predicted)
PSA：46.61000
Density:1.566±0.06 g/cm3(Predicted)
LogP:2.77220
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:309.00006
Heavy Atom Count:18
Complexity:361

Purity/Quality:

≥95% ^*data from raw suppliers

Benzyl5-bromo-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(C=C(C1=O)Br)C(=O)OCC2=CC=CC=C2

Technology Process of Benzyl 5-bromo-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate

There total 3 articles about Benzyl 5-bromo-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

: 185847-84-1
benzyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate

: 865996-16-3
1-N-(benzyloxycarbonyl)-3-bromo-4-oxo-1,4,5,6-tetrahydropyridine

Guidance literature:: With N-Bromosuccinimide; In dichloromethane; at 20 ℃; for 5h;
DOI:10.1021/jo051117e

Reference yield:

: 620-08-6,1232006-56-2
4-methoxypyridine

: 865996-16-3
1-N-(benzyloxycarbonyl)-3-bromo-4-oxo-1,4,5,6-tetrahydropyridine

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium borohydride / methanol; diethyl ether / 1 h / -78 °C

1.2: 80 percent / water / methanol; diethyl ether / -60 - 23 °C

2.1: 85 percent / N-bromosuccinimide / CH₂Cl₂ / 5 h / 20 °C

With sodium tetrahydroborate; N-Bromosuccinimide; In methanol; diethyl ether; dichloromethane;
DOI:10.1021/jo051117e

Reference yield:

: 501-53-1,94274-21-2
benzyl chloroformate

: 865996-16-3
1-N-(benzyloxycarbonyl)-3-bromo-4-oxo-1,4,5,6-tetrahydropyridine

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium borohydride / methanol; diethyl ether / 1 h / -78 °C

1.2: 80 percent / water / methanol; diethyl ether / -60 - 23 °C

2.1: 85 percent / N-bromosuccinimide / CH₂Cl₂ / 5 h / 20 °C

With sodium tetrahydroborate; N-Bromosuccinimide; In methanol; diethyl ether; dichloromethane;
DOI:10.1021/jo051117e