3-Bromo-2-methyl-5-nitrobenzoic acid

Base Information

• Chemical Name: 3-Bromo-2-methyl-5-nitrobenzoic acid
• CAS No.: 1269292-02-5
• Molecular Formula: C₈H₆BrNO₄
• Molecular Weight: 260.044
• DSSTox Substance ID: DTXSID201292032

Synonyms:1269292-02-5;3-BROMO-2-METHYL-5-NITROBENZOIC ACID;Benzoic acid, 3-bromo-2-methyl-5-nitro-;3-Bromo-2-methyl-5-nitrobenzoicacid;SCHEMBL7241358;DTXSID201292032;MFCD20275367;AKOS014882474;3-Bromo-2-methyl-5-nitro-benzoic acid;AS-48033;EN300-203844;F17571

Chemical Property of 3-Bromo-2-methyl-5-nitrobenzoic acid

Chemical Property:

• Boiling Point: 395.7±42.0 °C(Predicted)
• Density: 1.777±0.06 g/cm3(Predicted)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 258.94802
• Heavy Atom Count: 14
• Complexity: 252

Purity/Quality:

97% ^*data from raw suppliers

3-bromo-2-methyl-5-nitrobenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1Br)[N+](=O)[O-])C(=O)O

Technology Process of 3-Bromo-2-methyl-5-nitrobenzoic acid

There total 1 articles about 3-Bromo-2-methyl-5-nitrobenzoic acid 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: 94.0%

5-nitro-o-toluic acid (1975-52-6) → 3-bromo-2-methyl-5-nitrobenzoic acid (1269292-02-5)

Guidance literature:

With N-Bromosuccinimide; sulfuric acid; at 60 ℃; for 2.5h;

DOI:10.1021/jo302768f

Reference yield: 96.0%

methanol (67-56-1) + 3-bromo-2-methyl-5-nitrobenzoic acid (1269292-02-5) → methyl 3-bromo-2-methyl-5-nitrobenzoate (885519-05-1)

Guidance literature:

With sulfuric acid; In water; at 60 ℃;

DOI:10.1021/acsmedchemlett.7b00437

Reference yield:

3-bromo-2-methyl-5-nitrobenzoic acid (1269292-02-5) → C8H4BrNO6

Guidance literature:

With potassium permanganate; sodium hydroxide; In water; at 60 - 100 ℃;

DOI:10.1021/jo302768f

upstream raw materials:

5-nitro-o-toluic acid

Downstream raw materials:

1-(5-(N-(phenoxyacetyl)amino)phthalimid-3-yl)-1,2-dideoxy-β-D-ribofuranose

1-(5-(N-(phenoxyacetyl)amino)-N-(4,4'-dimethoxytrityl)phthalimid-3-yl)-5-O-(4,4'-dimethoxytrityl)-1,2-dideoxy-β-D-ribofuranose

1-(5-(N-(phenoxyacetyl)amino)-N-(4,4'-dimethoxytrityl)phthalimid-3-yl)-3-O-[(2-cyanoethoxy)diisopropylaminophosphanyl]-5-O-(4,4'-dimethoxytrityl)-1,2-dideoxy-β-D-ribofuranose

C₄₂H₃₈N₂O₉

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