Methyl 5,6-dibromonicotinate

Base Information

Chemical Name:Methyl 5,6-dibromonicotinate
CAS No.:78686-81-4
Molecular Formula:C₇H₅Br₂NO₂
Molecular Weight:294.93
Hs Code.:
DSSTox Substance ID:DTXSID20506559
Wikidata:Q72489982
Mol file:78686-81-4.mol

Synonyms:METHYL 5,6-DIBROMONICOTINATE;78686-81-4;methyl 5,6-dibromopyridine-3-carboxylate;SCHEMBL1505593;DTXSID20506559;MREUKHWWRWXJLN-UHFFFAOYSA-N;AKOS015892063;5,6-Dibromonicotinic acid methyl ester;AT24221;A9877

Suppliers and Price of Methyl 5,6-dibromonicotinate

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

Chemcia Scientific
5,6-Dibromo-nicotinicacidmethylester 95%
5 G
$ 755.00

Total 5 raw suppliers

Chemical Property of Methyl 5,6-dibromonicotinate

Chemical Property:

PSA：39.19000
LogP:2.39320
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:294.86665
Heavy Atom Count:12
Complexity:177

Purity/Quality:

97% ^*data from raw suppliers

5,6-Dibromo-nicotinicacidmethylester 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC(=C(N=C1)Br)Br

Technology Process of Methyl 5,6-dibromonicotinate

There total 4 articles about Methyl 5,6-dibromonicotinate 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: 89.0%

: 186581-53-3,908094-01-9,334-88-3
diazomethane

: 29241-64-3
5,6-Dibromnicotinsaeure

: 78686-81-4
methyl 5,6-dibromonicotinate

Guidance literature:: In diethyl ether; Ambient temperature;
DOI:10.1021/je00025a033

Reference yield: 50.0%

: 381247-99-0
methyl 5-bromo-6-hydroxypyridine-3-carboxylate

: 78686-81-4
methyl 5,6-dibromonicotinate

Guidance literature:: With tetrabutylammomium bromide; phosphorus pentoxide; In toluene; for 5h; Reflux;

Reference yield:

: 5006-66-6
6-hydroxy-3-pyridinecarboxylic acid

: 78686-81-4
methyl 5,6-dibromonicotinate

Guidance literature:: Multi-step reaction with 3 steps

1.1: sulfuric acid / 16 h / Reflux

2.1: bromine; acetic acid / 60 °C

2.2: 18 - 26 °C / pH ~ 7

3.1: tetrabutylammomium bromide; phosphorus pentoxide / toluene / 5 h / Reflux

With sulfuric acid; tetrabutylammomium bromide; bromine; phosphorus pentoxide; acetic acid; In toluene;