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

Base Information

• Chemical Name: 5-Bromo-2,3-dihydro-1-benzofuran-3-carboxylic acid
• CAS No.: 93670-10-1
• Molecular Formula: C9H7BrO3
• Molecular Weight: 243.05400
• European Community (EC) Number: 847-108-1

Synonyms:93670-10-1;5-bromo-2,3-dihydro-1-benzofuran-3-carboxylic acid;5-BROMO-2,3-DIHYDROBENZOFURAN-3-CARBOXYLIC ACID;SCHEMBL10898074;AKOS017555499;AB56754;AT21373;DB-219352;CS-0224471;EN300-119607;5-BROMO-2,3-DIHYDROBENZOFURAN-3-CARBOXYLICACID;Z1269233195

Chemical Property of 5-Bromo-2,3-dihydro-1-benzofuran-3-carboxylic acid

Chemical Property:

• PSA: 46.53000
• LogP: 2.00970
• XLogP3: 1.9
• 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:

5-Bromo-2,3-dihydro-1-benzofuran-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C2=C(O1)C=CC(=C2)Br)C(=O)O

Technology Process of 5-Bromo-2,3-dihydro-1-benzofuran-3-carboxylic acid

There total 2 articles about 5-Bromo-2,3-dihydro-1-benzofuran-3-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: 18.0%

6-bromochroman-4-one (49660-57-3) + thallium trinitrate → 5-bromo-2,3-dihydrobenzofuran-3-carboxylic acid (93670-10-1)

Guidance literature:

With sodium hydroxide; In methanol; dichloromethane; water;

Reference yield:

6-bromochroman-4-one (49660-57-3) → 5-bromo-2,3-dihydrobenzofuran-3-carboxylic acid (93670-10-1)

Guidance literature:

With thallium(III) nitrate; In dichloromethane; for 2.5h; Ambient temperature;

DOI:10.1021/jm00156a004

Reference yield:

5-bromo-2,3-dihydrobenzofuran-3-carboxylic acid (93670-10-1) → 7-benzoyl-2,3-dihydrobenzofuran-3-carboxylic acid (93670-36-1)

Guidance literature:

Multi-step reaction with 4 steps

1: HCl / 1.5 h / Heating

2: AlCl₃ / CS₂ / 72 h / Ambient temperature

3: 200 mg / H₂, KOAc / 10percent Pd/C / ethyl acetate / 3.5 h / 760 Torr / Ambient temperature

4: 75 percent / Na₂CO₃ / ethanol / 1.5 h / Ambient temperature

With hydrogenchloride; aluminium trichloride; hydrogen; potassium acetate; sodium carbonate; palladium on activated charcoal; In carbon disulfide; ethanol; ethyl acetate;

DOI:10.1021/jm00156a004

upstream raw materials:

6-bromochroman-4-one

Downstream raw materials:

7-benzoyl-2,3-dihydrobenzofuran-3-carboxylic acid

7-benzoyl-5-bromo-2,3-dihydrobenzofuran-3-carboxylic acid

7-benzoyl-2,3-dihydrobenzofuran-3-carboxylic acid ethyl ester

ethyl 7-benzoyl-5-bromo-2,3-dihydrobenzofuran-3-carboxylate

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