(4-Hydroxyphenyl)(2-methylbenzofuran-3-yl)methanone

Base Information

• Chemical Name: (4-Hydroxyphenyl)(2-methylbenzofuran-3-yl)methanone
• CAS No.: 52490-47-8
• Molecular Formula: C16H12O3
• Molecular Weight: 252.269
• Hs Code.: 2932999099
• ChEMBL ID: CHEMBL374618
• DSSTox Substance ID: DTXSID00537285
• Wikidata: Q82412238
• Mol file: 52490-47-8.mol

Synonyms:52490-47-8;(4-hydroxyphenyl)(2-methylbenzofuran-3-yl)methanone;(4-hydroxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone;CHEMBL374618;3-(4-HYDROXYBENZOYL)-2-METHYL-BENZOFURAN;SCHEMBL8994710;DTXSID00537285;BDBM50158457;AKOS030255340;(4-Hydroxyphenyl)(2-methyl-1-benzofuran-3-yl)methanone

Chemical Property of (4-Hydroxyphenyl)(2-methylbenzofuran-3-yl)methanone

Chemical Property:

• Boiling Point: 414.8±35.0 °C(Predicted)
• PKA: 7.67±0.15(Predicted)
• PSA: 50.44000
• Density: 1.266±0.06 g/cm3(Predicted)
• LogP: 3.67780
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 252.078644241
• Heavy Atom Count: 19
• Complexity: 333

Purity/Quality:

99% ^*data from raw suppliers

3-(4-HYDROXYBENZOYL)-2-METHYL-BENZOFURAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)O

Technology Process of (4-Hydroxyphenyl)(2-methylbenzofuran-3-yl)methanone

There total 3 articles about (4-Hydroxyphenyl)(2-methylbenzofuran-3-yl)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: 52.0%

1-(4-hydroxyphenylethynyl)-2-(vinyloxy)benzene → 2-methyl-3-(4'-hydroxybenzoyl)benzofuran (52490-47-8)

Guidance literature:

With 1,10-Phenanthroline; oxygen; iron(II) chloride; In ethanol; at 60 ℃; for 12h;

Reference yield:

2-methyl-3-(4'-methoxybenzoyl)benzofuran (94541-06-7) → 2-methyl-3-(4'-hydroxybenzoyl)benzofuran (52490-47-8)

Guidance literature:

With pyridine hydrochloride; for 0.5h; Heating;

DOI:10.1021/jm001126+

Reference yield:

→ 2-methyl-3-(4'-hydroxybenzoyl)benzofuran (52490-47-8)

Guidance literature:

aus 3-<4-Methoxy-benzoyl>-2-methyl-benzofuran, Pyridiniumchlorid/ wss. HCl;

upstream raw materials:

2-methyl-3-(4'-methoxybenzoyl)benzofuran

Downstream raw materials:

2-methyl-3-(3,5-diiodo-4-hydroxybenzoyl)benzofuran

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