2-(5-Methylbenzofuran-3-yl)-1-phenylethanone

Base Information

• Chemical Name: 2-(5-Methylbenzofuran-3-yl)-1-phenylethanone
• CAS No.: 113311-63-0
• Molecular Formula: C17H14O2
• Molecular Weight: 250.297
• DSSTox Substance ID: DTXSID80544331
• Wikidata: Q82421419
• Mol file: 113311-63-0.mol

Synonyms:113311-63-0;2-(5-methylbenzofuran-3-yl)-1-phenylethanone;DTXSID80544331;3-phenacyl-5-methyl-benzo[b]furane;2-(5-Methyl-1-benzofuran-3-yl)-1-phenylethan-1-one

Chemical Property of 2-(5-Methylbenzofuran-3-yl)-1-phenylethanone

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 250.099379685
• Heavy Atom Count: 19
• Complexity: 319

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)OC=C2CC(=O)C3=CC=CC=C3

Technology Process of 2-(5-Methylbenzofuran-3-yl)-1-phenylethanone

There total 4 articles about 2-(5-Methylbenzofuran-3-yl)-1-phenylethanone 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: 52.0%

1-Phenyl-4-p-tolyloxy-butane-1,3-dione (84322-44-1) → 3-phenacyl-5-methylbenzofurane (113311-63-0)

Guidance literature:

With PPA; In toluene; at 110 ℃; for 3h;

DOI:10.1007/BF00475635

Reference yield: 7.0%

4-chloromethyl-6-methylflavylium perchlorate → 6-methyl-4-chloromethylflavene (113311-65-2) + 3-phenacyl-5-methylbenzofurane (113311-63-0)

Guidance literature:

With sodium hydroxide; In water; N,N-dimethyl-formamide; at 90 ℃; for 4h;

DOI:10.1007/BF00486906

Reference yield:

methyl p-tolyloxyacetate (38768-63-7) → 3-phenacyl-5-methylbenzofurane (113311-63-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 72 percent / Na (susp.) / toluene / 6 h / 20 °C / 80 degC, 2h

2: 52 percent / polyphosphoric acid / toluene / 3 h / 110 °C

With PPA; sodium; In toluene;

DOI:10.1007/BF00475635

upstream raw materials:

1-Phenyl-4-p-tolyloxy-butane-1,3-dione

methyl p-tolyloxyacetate

acetophenone

Downstream raw materials:

1-Ethyl-6-methyl-3-phenyl-benzo[4,5]furo[2,3-c]pyridine

1,6-Dimethyl-3-phenyl-benzo[4,5]furo[2,3-c]pyridine

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