(2-Ethyl-benzofuran-3-yl)-phenyl-methanone

Base Information

• Chemical Name: (2-Ethyl-benzofuran-3-yl)-phenyl-methanone
• CAS No.: 3131-64-4
• Molecular Formula: C17H14O2
• Molecular Weight: 250.297
• DSSTox Substance ID: DTXSID701280066
• Nikkaji Number: J3.342.810C
• Mol file: 3131-64-4.mol

Synonyms:3131-64-4;SCHEMBL1287913;RNRVHRZVPBEPDF-UHFFFAOYSA-N;DTXSID701280066;AKOS012255539;(2-Ethyl-3-benzofuranyl)phenylmethanone;(2-Ethyl-benzofuran-3-yl)-phenyl-methanone

Chemical Property of (2-Ethyl-benzofuran-3-yl)-phenyl-methanone

Chemical Property:

• XLogP3: 4.6
• 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% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=CC=C3

Technology Process of (2-Ethyl-benzofuran-3-yl)-phenyl-methanone

There total 7 articles about (2-Ethyl-benzofuran-3-yl)-phenyl-methanone 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: 69.0%

2-Iodophenol (533-58-4) + 1-phenylpenta-2,3-dien-1-one (99845-86-0) → (2-ethylbenzofuran-3-yl)(phenyl)methanone (3131-64-4)

Guidance literature:

With 1,10-Phenanthroline; caesium carbonate; copper(I) bromide; In hexane; dimethyl sulfoxide; at 90 ℃; for 12h; under 760.051 Torr; Molecular sieve;

DOI:10.1021/jo5017508

Reference yield: 64.0%

2-ethylbenzofuran (3131-63-3) + benzoyl chloride (98-88-4) → (2-ethylbenzofuran-3-yl)(phenyl)methanone (3131-64-4)

Guidance literature:

2-ethylbenzofuran; With carbon disulfide; for 0.5h; Inert atmosphere; Cooling with ice;

benzoyl chloride; With tin(IV) chloride; at 20 ℃; for 24h; Cooling with ice;

Reference yield:

(Benzoylmethylene)triphenylphosphorane (20913-05-7,859-65-4) → (2-ethylbenzofuran-3-yl)(phenyl)methanone (3131-64-4)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 0.17 h / 20 °C

2: copper(I) bromide; 1,10-Phenanthroline; caesium carbonate / hexane; dimethyl sulfoxide / 12 h / 90 °C / Sealed tube; Molecular sieve

With 1,10-Phenanthroline; caesium carbonate; triethylamine; copper(I) bromide; In hexane; dichloromethane; dimethyl sulfoxide; 2: |Michael Addition;

DOI:10.1021/ol502506g

upstream raw materials:

2-ethylbenzofuran

benzoyl chloride

1-(benzo[b]furan-2-yl)ethanone

salicylaldehyde

Downstream raw materials:

(2-ethyl-benzofuran-3-yl)-phenyl-methanol

2-(2-methoxyphenyl)-1-phenylethan-1-one

N-[4-ethyl-5-(2-hydroxy-phenyl)-6-phenyl-pyrimidin-2-yl]-morpholine-4-carboximidic acid amide

2-(3-ethyl-5-phenyl-isoxazol-4-yl)-phenol