3-Bromo-2,6-dimethoxy-5-nitrobenzoic acid

Base Information

• Chemical Name: 3-Bromo-2,6-dimethoxy-5-nitrobenzoic acid
• CAS No.: 98527-25-4
• Molecular Formula: C₉H₈BrNO₆
• Molecular Weight: 306.07
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID30543374
• Wikidata: Q82420221
• Mol file: 98527-25-4.mol

Synonyms:3-BROMO-2,6-DIMETHOXY-5-NITROBENZOIC ACID;98527-25-4;SCHEMBL7823436;DTXSID30543374

Chemical Property of 3-Bromo-2,6-dimethoxy-5-nitrobenzoic acid

Chemical Property:

• PSA: 101.58000
• LogP: 2.59590
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 304.95350
• Heavy Atom Count: 17
• Complexity: 306

Purity/Quality:

3-Bromo-2,6-dimethoxy-5-nitrobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1[N+](=O)[O-])Br)OC)C(=O)O

Technology Process of 3-Bromo-2,6-dimethoxy-5-nitrobenzoic acid

There total 1 articles about 3-Bromo-2,6-dimethoxy-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:

methyl 3-bromo-2,6-dimethoxy-5-nitrobenzoate (98527-36-7) → 3-bromo-5-nitro-2,6-dimethoxybenzoic acid (98527-25-4)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 2.5h; Yield given; Heating;

DOI:10.1021/jm00151a010

Reference yield:

3-bromo-5-nitro-2,6-dimethoxybenzoic acid (98527-25-4) → 3-Bromo-2,6-dimethoxy-5-nitro-benzoyl chloride

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In toluene; for 2h;

DOI:10.1021/jm00151a010

upstream raw materials:

methyl 3-bromo-2,6-dimethoxy-5-nitrobenzoate

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