5-Bromo-2,3-dihydrobenzofuran-2-carboxylic acid

Base Information

• Chemical Name: 5-Bromo-2,3-dihydrobenzofuran-2-carboxylic acid
• CAS No.: 885069-03-4
• Molecular Formula: C9H7BrO3
• Molecular Weight: 243.05400
• Hs Code.: 2932999099
• European Community (EC) Number: 963-370-0
• Mol file: 885069-03-4.mol

Synonyms:885069-03-4;5-Bromo-2,3-dihydrobenzofuran-2-carboxylic acid;5-bromo-2,3-dihydro-1-benzofuran-2-carboxylic acid;SCHEMBL4151890;MWNCCBAITNRTSN-UHFFFAOYSA-N;AKOS017504303;DA-37876;NS-03446;CS-0434272;5-Bromo-2,3-dihydrobenzofuran-2-carboxylicacid;EN300-116728;G41828;5-bromo-2,3-dihydro-benzofuran-2-carboxylic acid;Z1269223909

Chemical Property of 5-Bromo-2,3-dihydrobenzofuran-2-carboxylic acid

Chemical Property:

• PSA: 46.53000
• LogP: 1.83720
• XLogP3: 2.2
• 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:

97% ^*data from raw suppliers

5-Bromo-2,3-dihydrobenzofuran-2-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC2=C1C=C(C=C2)Br)C(=O)O

Technology Process of 5-Bromo-2,3-dihydrobenzofuran-2-carboxylic acid

There total 5 articles about 5-Bromo-2,3-dihydrobenzofuran-2-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:

2,3-dihydro-1-benzofuran-2-carboxylic acid (1914-60-9) → 5-bromo-2,3-dihydro-1-benzofuran-2-carboxylic acid (885069-03-4)

Guidance literature:

With bromine; acetic acid; for 16h;

Reference yield:

5-bromo-2-hydroxymethyl-2,3-dihydrobenzo[b]furan (197577-35-8) → 5-bromo-2,3-dihydro-1-benzofuran-2-carboxylic acid (885069-03-4)

Guidance literature:

With jones' reagent; In acetone; for 48h; Ambient temperature;

DOI:10.1021/jm00371a003

Reference yield:

2-allyl-4-bromophenol (13997-74-5) → 5-bromo-2,3-dihydro-1-benzofuran-2-carboxylic acid (885069-03-4)

Guidance literature:

Multi-step reaction with 3 steps

1: m-chloroperbenzoic acid / CH₂Cl₂ / 24 h / 10 - 20 °C

2: Kieselgel 60 / CH₂Cl₂ / 24 h / Ambient temperature

3: Jones' reagent / acetone / 48 h / Ambient temperature

With jones' reagent; Kieselgel 60; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; acetone;

DOI:10.1021/jm00371a003

upstream raw materials:

5-bromo-2-hydroxymethyl-2,3-dihydrobenzo[b]furan

2,3-dihydro-1-benzofuran-2-carboxylic acid

2-allyl-4-bromophenol

Downstream raw materials:

5-{2-methoxy-6-[2-(4-trifluoromethoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-2,3-dihydro-benzofuran-2-carboxylic acid hydrochloride

5-{2-methoxy-6-[2-(4-trifluoromethoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-2,3-dihydro-benzofuran-2-carboxylic acid

5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-N,N-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide

5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-N,N-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide