Methyl 5-bromo-2-hydroxy-3-nitrobenzoate

Base Information

• Chemical Name: Methyl 5-bromo-2-hydroxy-3-nitrobenzoate
• CAS No.: 91983-31-2
• Molecular Formula: C8H6BrNO5
• Molecular Weight: 276.043
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID30359558
• Wikidata: Q82140813
• Mol file: 91983-31-2.mol

Synonyms:methyl 5-bromo-2-hydroxy-3-nitrobenzoate;91983-31-2;Methyl 5-bromo-2-hydroxy-3-nitrobenzenecarboxylate;MFCD00458681;Benzoic acid, 5-bromo-2-hydroxy-3-nitro-, methyl ester;Methyl5-bromo-2-hydroxy-3-nitrobenzoate;SCHEMBL207052;DTXSID30359558;YGVJGAVKLPOPMS-UHFFFAOYSA-N;STK366078;AKOS000264988;MD-0013;CS-0150901;FT-0681699;EN300-66829;F19613;SR-01000276443;J-522448;SR-01000276443-1

Chemical Property of Methyl 5-bromo-2-hydroxy-3-nitrobenzoate

Chemical Property:

• PSA: 92.35000
• LogP: 2.37270
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 274.94293
• Heavy Atom Count: 15
• Complexity: 266

Purity/Quality:

97% ^*data from raw suppliers

Methyl 5-bromo-2-hydroxy-3-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=CC(=C1)Br)[N+](=O)[O-])O

Technology Process of Methyl 5-bromo-2-hydroxy-3-nitrobenzoate

There total 6 articles about Methyl 5-bromo-2-hydroxy-3-nitrobenzoate 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: 93.0%

→ methyl 5-bromo-2-hydroxy-3-nitrobenzoate (91983-31-2)

Guidance literature:

With sulfuric acid; nitric acid; In dichloromethane; at 20 ℃; Cooling with ice;

Reference yield: 88.0%

5-bromo-2-hydroxy-benzoic acid methyl ester (4068-76-2) → methyl 5-bromo-2-hydroxy-3-nitrobenzoate (91983-31-2)

Guidance literature:

With sulfuric acid; nitric acid; at 0 - 20 ℃; for 3.5h;

Reference yield:

2-hydroxy-3-nitro-benzoic acid methyl ester (22621-41-6) → methyl 5-bromo-2-hydroxy-3-nitrobenzoate (91983-31-2)

Guidance literature:

With bromine; acetic acid; at 20 ℃; for 16h;

upstream raw materials:

5-bromo-2-hydroxy-benzoic acid methyl ester

methyl salicylate

salicylic acid

4-bromo-2-Hydroxybenzoic Acid Methylester

Downstream raw materials:

6-Bromo-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-8-carboxylic acid methyl ester

6-Bromo-4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-8-carboxylic acid methyl ester

3-amino-5-bromo-2-hydroxybenzoic acid methyl ester

methyl 3-aminosalicylate