3-Methylbenzofuran-2-carbonyl chloride

Base Information

• Chemical Name: 3-Methylbenzofuran-2-carbonyl chloride
• CAS No.: 2256-86-2
• Molecular Formula: C10H7 Cl O2
• Molecular Weight: 194.617
• Hs Code.: 29329990
• European Community (EC) Number: 622-607-5
• DSSTox Substance ID: DTXSID40370512
• Wikidata: Q82157664
• Mol file: 2256-86-2.mol

Synonyms:3-Methylbenzofuran-2-carbonyl chloride;2256-86-2;3-methyl-1-benzofuran-2-carbonyl chloride;3-methyl-benzofuran-2-carbonyl chloride;MFCD01940394;2-Benzofurancarbonyl chloride, 3-methyl-;SCHEMBL992866;3-methyl-2-benzofuroyl chloride;DTXSID40370512;QEULGCOIYWPYIL-UHFFFAOYSA-N;BBL014490;GEO-01763;AKOS005172508;FS-5891;3-methylbenzo[b]furan-2-carbonyl chloride;BB 0216479;FT-0616125;3-Methylbenzofuran-2-carbonyl chloride, 97%;A878505;W-200234

Chemical Property of 3-Methylbenzofuran-2-carbonyl chloride

Chemical Property:

• Vapor Pressure: 0.00287mmHg at 25°C
• Melting Point: 72-77 °C(lit.)
• Boiling Point: 285.1°Cat760mmHg
• Flash Point: 126.2°C
• PSA: 30.21000
• Density: 1.305g/cm³
• LogP: 3.12020
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 194.0134572
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

3-Methylbenzofuran-2-carbonyl chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(OC2=CC=CC=C12)C(=O)Cl
• Uses: 3-Methylbenzofuran-2-carbonyl chloride may be used in the synthesis of ferruginyl 3-methylbenzofuran-2-carbonyl ester.

Technology Process of 3-Methylbenzofuran-2-carbonyl chloride

There total 4 articles about 3-Methylbenzofuran-2-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: 91.0%

2-amino-6-(benzyloxy)-3-methylbenzoic acid → 3-methyl-1-benzofuran-2-carbonyl chloride (2256-86-2)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 0 ℃; for 2h; Inert atmosphere;

Reference yield: 90.0%

3-methyl-1-benzofuran-2-carboxylic acid (24673-56-1) + oxalyl dichloride (79-37-8) → 3-methyl-1-benzofuran-2-carbonyl chloride (2256-86-2)

Guidance literature:

In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 4h;

Reference yield:

3-methyl-1-benzofuran-2-carboxylic acid (24673-56-1) → 3-methyl-1-benzofuran-2-carbonyl chloride (2256-86-2)

Guidance literature:

With thionyl chloride; benzene;

upstream raw materials:

3-methyl-1-benzofuran-2-carboxylic acid

oxalyl dichloride

Downstream raw materials:

methyl 3-methylbenzofuran-2-carboxylate

2-(3-methylbenzofuran-2-ylcarboxamido)benzoic acid

C₂₆H₂₃N₃O₄S

5-(4-phenoxyphenyl)-5-(4-(3-methylbenzofuran-2-carbonyl)-1,4-diazepan-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione