Benzoic acid, 2-amino-5-bromo-6-methyl-3-nitro-, methyl ester

Base Information

Chemical Name:Benzoic acid, 2-amino-5-bromo-6-methyl-3-nitro-, methyl ester
CAS No.:258508-84-8
Molecular Formula:C9H9BrN2O4
Molecular Weight:289.085
Hs Code.:
European Community (EC) Number:841-740-1
DSSTox Substance ID:DTXSID20444144
Wikidata:Q82262176
Mol file:258508-84-8.mol

Synonyms:258508-84-8;methyl 2-amino-5-bromo-6-methyl-3-nitrobenzoate;Methyl 2-amino-5-bromo-6-methyl-3-nitro-benzoate;Benzoic acid, 2-amino-5-bromo-6-methyl-3-nitro-, methyl ester;SCHEMBL2624003;DTXSID20444144;MFCD30602883;AS-67923;W15369;methyl2-amino-5-bromo-6-methyl-3-nitrobenzoate

Suppliers and Price of Benzoic acid, 2-amino-5-bromo-6-methyl-3-nitro-, methyl ester

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
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Total 1 raw suppliers

Chemical Property of Benzoic acid, 2-amino-5-bromo-6-methyl-3-nitro-, methyl ester

Chemical Property:

Boiling Point:375.2±37.0 °C(Predicted)
PSA：98.14000
Density:1.662±0.06 g/cm3(Predicted)
LogP:3.13890
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:287.97457
Heavy Atom Count:16
Complexity:294

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=C(C(=C1C(=O)OC)N)[N+](=O)[O-])Br

Technology Process of Benzoic acid, 2-amino-5-bromo-6-methyl-3-nitro-, methyl ester

There total 8 articles about Benzoic acid, 2-amino-5-bromo-6-methyl-3-nitro-, methyl ester 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: 73.0%

: 67-56-1
methanol

: 258508-83-7
6-bromo-5-methyl-8-nitro-1H-benzo[d][1,3]oxazine-2,4-dione

: 258508-84-8
methyl 2-amino-5-bromo-6-methyl-3-nitrobenzoate

Guidance literature:: at 0 ℃; for 5 - 6h; Heating / reflux;

Reference yield:

: methyl 2-acetamido-5-bromo-6-methyl-3-nitrobenzoate

: 258508-84-8
methyl 2-amino-5-bromo-6-methyl-3-nitrobenzoate

Guidance literature:: With hydrogenchloride; In ethanol; water; Reflux;

Reference yield:

: 4389-50-8
2-amino-6-methylbenzoic acid

: 258508-84-8
methyl 2-amino-5-bromo-6-methyl-3-nitrobenzoate

Guidance literature:: Multi-step reaction with 4 steps

1: 98 percent / aq. NaOH / toluene / 1 h

2: 89 percent / Br₂; TFA; Fe / acetic acid / 4 h / 20 °C

3: 62 percent / KNO₃; H₂SO₄ / 1.5 h

4: 55 percent / 3 h / Heating

With sodium hydroxide; sulfuric acid; bromine; iron; potassium nitrate; trifluoroacetic acid; In acetic acid; toluene; 1: cyclocondensation / 2: Bromination / 3: Nitration / 4: Esterification;
DOI:10.1002/jhet.5570360526