1-(2-Benzylbenzofuran-3-yl)ethanone

Base Information

• Chemical Name: 1-(2-Benzylbenzofuran-3-yl)ethanone
• CAS No.: 77071-96-6
• Molecular Formula: C₁₇H₁₄O₂
• Molecular Weight: 250.297
• DSSTox Substance ID: DTXSID10515519
• Wikidata: Q82376430

Synonyms:1-(2-benzylbenzofuran-3-yl)ethanone;77071-96-6;SCHEMBL11464067;DTXSID10515519;1-(2-Benzyl-1-benzofuran-3-yl)ethan-1-one

Chemical Property of 1-(2-Benzylbenzofuran-3-yl)ethanone

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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(OC2=CC=CC=C21)CC3=CC=CC=C3

Technology Process of 1-(2-Benzylbenzofuran-3-yl)ethanone

There total 2 articles about 1-(2-Benzylbenzofuran-3-yl)ethanone 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:

2-benzylbenzofuran (4265-14-9) + acetyl chloride (75-36-5) → 3-acetyl-2-benzylbenzofuran (77071-96-6)

Guidance literature:

With carbon disulfide; tin(IV) chloride;

Reference yield:

2-benzoylbenzofuran (6272-40-8) → 3-acetyl-2-benzylbenzofuran (77071-96-6)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate; diethylene glycol / anschliessend Erhitzen mit Kaliumhydroxid

2: tin (IV)-chloride; carbon disulfide

With carbon disulfide; tin(IV) chloride; hydrazine hydrate; diethylene glycol;

Reference yield:

3-acetyl-2-benzylbenzofuran (77071-96-6) → 2-(2-benzyl-3-benzofuryl)-1,1-diphenylprop-1-ene (95717-51-4)

Guidance literature:

Multi-step reaction with 2 steps

1: butyl-lithium / hexane / 5 h / Heating

2: toluene-p-sulphonic acid / toluene / Heating

With n-butyllithium; toluene-4-sulfonic acid; In hexane; toluene;

upstream raw materials:

2-benzylbenzofuran

acetyl chloride

2-benzoylbenzofuran

Downstream raw materials:

2-benzylbenzofuryl-3-methyl ketoxime

2-(2-benzyl-3-benzofuryl)-1,1-diphenylpropan-2-ol

2-(2-benzyl-3-benzofuryl)-1,1-diphenylprop-1-ene

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