5-Bromo-2,3-dihydrobenzo[B]furan-7-carbonyl chloride

Base Information

• Chemical Name: 5-Bromo-2,3-dihydrobenzo[B]furan-7-carbonyl chloride
• CAS No.: 108551-60-6
• Molecular Formula: C₉H₆BrClO₂
• Molecular Weight: 261.502
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID60383422
• Wikidata: Q82175122
• Mol file: 108551-60-6.mol

Synonyms:108551-60-6;5-BROMO-2,3-DIHYDROBENZO[B]FURAN-7-CARBONYL CHLORIDE;5-bromo-2,3-dihydrobenzofuran-7-carbonyl chloride;5-bromo-2,3-dihydro-1-benzofuran-7-carbonyl chloride;7-Benzofurancarbonylchloride, 5-bromo-2,3-dihydro-;5-bromo-2,3-dihydrobenzo[b]-furan-7-carbonyl chloride;5-Bromo-2,3-dihydrobenzo[b]furane-7-carbonyl chloride;SCHEMBL477678;DTXSID60383422;WGOAQNQGOZTVID-UHFFFAOYSA-N;5-BROMO-2,3-DIHYDROBENZO[B]FURAN-7-CARBONYLCHLORIDE;MFCD05865150;FT-0711687;5-Bromo-2,3-dihydro-benzofuran-7-carbonyl chloride;5-bromo-2,3-dihydrobenzo[b]furan-7-carbonyl chloride, AldrichCPR

Chemical Property of 5-Bromo-2,3-dihydrobenzo[B]furan-7-carbonyl chloride

Chemical Property:

• Vapor Pressure: 3.05E-05mmHg at 25°C
• Melting Point: 126 °C
• Refractive Index: 1.618
• Boiling Point: 355.8°Cat760mmHg
• Flash Point: 169°C
• PSA: 26.30000
• Density: 1.718g/cm³
• LogP: 2.76300
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 259.92397
• Heavy Atom Count: 13
• Complexity: 222

Purity/Quality:

99%, ^*data from raw suppliers

5-Bromo-2,3-dihydrobenzo[b]-furan-7-carbonyl chloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Bromo-2,3-dihydrobenzo[B]furan-7-carbonyl chloride

There total 4 articles about 5-Bromo-2,3-dihydrobenzo[B]furan-7-carbonyl chloride 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:

5-bromo-2,3-dihydrobenzo[b]furan-7-carboxylic acid (41177-72-4) → 5-bromo-7-carboxy-2,3-dihydrobenzofuran chloride (108551-60-6)

Guidance literature:

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

DOI:10.1021/jm00163a029

Reference yield:

2,3-dihydrobenzofuran-7-carboxylic acid (35700-40-4) → 5-bromo-7-carboxy-2,3-dihydrobenzofuran chloride (108551-60-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 79 percent / sodium acetate, bromine / acetic acid / 3 h / 80 °C

2: dimethylformamide, thionyl chloride / toluene / 1 h / 65 °C

With thionyl chloride; bromine; sodium acetate; N,N-dimethyl-formamide; In acetic acid; toluene;

DOI:10.1021/jm00170a040

Reference yield:

2.3-dihydrobenzofuran (496-16-2) → 5-bromo-7-carboxy-2,3-dihydrobenzofuran chloride (108551-60-6)

Guidance literature:

Multi-step reaction with 3 steps

1: Br₂ / acetic acid / Ambient temperature

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

3: SOCl₂, N,N-dimethylformamide / CHCl₃ / 2 h / Heating

With n-butyllithium; thionyl chloride; bromine; N,N-dimethyl-formamide; In chloroform; acetic acid;

DOI:10.1021/jm00163a029

upstream raw materials:

5-bromo-2,3-dihydrobenzo[b]furan-7-carboxylic acid

2,3-dihydrobenzofuran-7-carboxylic acid

2.3-dihydrobenzofuran

5,7-Dibromo-2,3-dihydrobenzofuran

Downstream raw materials:

5-iodo-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,3-dihydrobenzofurancarboxamide

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