5-bromo-2,3-dihydrobenzofuran-7-carboxylic Acid

Base Information

• Chemical Name: 5-bromo-2,3-dihydrobenzofuran-7-carboxylic Acid
• CAS No.: 41177-72-4
• Molecular Formula: C9H7BrO3
• Molecular Weight: 243.05400
• Hs Code.: 2932999099
• European Community (EC) Number: 678-022-0
• DSSTox Substance ID: DTXSID00383421
• Nikkaji Number: J3.151.231J
• Wikidata: Q82175121
• Mol file: 41177-72-4.mol

Synonyms:5-bromo-2,3-dihydrobenzofuran-7-carboxylic Acid;41177-72-4;5-bromo-2,3-dihydro-1-benzofuran-7-carboxylic acid;5-Bromo-2,3-dihydrobenzo[b]furan-7-carboxylic acid;5-bromo-2,3-dihydro-benzofuran-7-carboxylic acid;5-Bromocoumaran-7-carboxylic Acid;7-Benzofurancarboxylic acid, 5-bromo-2,3-dihydro-;5-Bromo-2,3-dihydrobenzofuran-7-carboxylicAcid;SCHEMBL1029688;DTXSID00383421;LEBMKAXASFPSFA-UHFFFAOYSA-N;MFCD00191391;AKOS015994831;CS-W023134;TS-03376;B1705;FT-0639698;EN300-697213;5-bromo-2,3 -dihydrobenzofuran-7-carboxylic acid;A825458;J-516870;5-bromanyl-2,3-dihydro-1-benzofuran-7-carboxylic acid;5-bromo-2,3-dihydrobenzofuran-7-carboxylic acid, AldrichCPR

Chemical Property of 5-bromo-2,3-dihydrobenzofuran-7-carboxylic Acid

Chemical Property:

• Melting Point: 230oC
• Boiling Point: 379.627oC at 760 mmHg
• Flash Point: 183.392oC
• PSA: 46.53000
• Density: 1.758g/cm3
• LogP: 2.08220
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 241.95786
• Heavy Atom Count: 13
• Complexity: 219

Purity/Quality:

99%, ^*data from raw suppliers

5-Bromo-2,3-dihydrobenzofuran-7-carboxylic Acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 36/37/38-51-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C1C=C(C=C2C(=O)O)Br

Technology Process of 5-bromo-2,3-dihydrobenzofuran-7-carboxylic Acid

There total 4 articles about 5-bromo-2,3-dihydrobenzofuran-7-carboxylic 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: 79.0%

2,3-dihydrobenzofuran-7-carboxylic acid (35700-40-4) → 5-bromo-2,3-dihydrobenzo[b]furan-7-carboxylic acid (41177-72-4)

Guidance literature:

With bromine; sodium acetate; In acetic acid; at 80 ℃; for 3h;

DOI:10.1021/jm00170a040

Reference yield:

2.3-dihydrobenzofuran (496-16-2) → 5-bromo-2,3-dihydrobenzo[b]furan-7-carboxylic acid (41177-72-4)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂ / acetic acid / Ambient temperature

2: 1.) n-BuLi / 1.) THF, hexane, -78 deg C, 2.) -78 deg C

With n-butyllithium; bromine; In acetic acid;

DOI:10.1021/jm00163a029

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + 5,7-Dibromo-2,3-dihydrobenzofuran (123266-59-1) → 5-bromo-2,3-dihydrobenzo[b]furan-7-carboxylic acid (41177-72-4)

Guidance literature:

With n-butyllithium; Multistep reaction; 1.) THF, hexane, -78 deg C, 2.) -78 deg C;

DOI:10.1021/jm00163a029

upstream raw materials:

carbon dioxide

5,7-Dibromo-2,3-dihydrobenzofuran

2,3-dihydrobenzofuran-7-carboxylic acid

2.3-dihydrobenzofuran

Downstream raw materials:

ethyl 5-bromo-2,3-dihydro-1-benzofuran-7-carboxylate

2-(4-fluorophenyl)-N-methyl-6-(N-methylmethylsulfonamido)-7'-(oxazolo[4,5-b]pyridin-2-yl)-[5,5'-bibenzofuran]-3-carboxamide

5-({[2-(trifluoromethyl)phenyl]carbonyl}amino)-2,3-dihydro-1-benzofuran-7-carboxylic acid

ethyl 5-({[2-(trifluoromethyl)phenyl]carbonyl}amino)-2,3-dihydro-1-benzofuran-7-carboxylate

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