3-Methyl-3-phenyl-2-benzofuran-1(3H)-one

Base Information

• Chemical Name: 3-Methyl-3-phenyl-2-benzofuran-1(3H)-one
• CAS No.: 18019-56-2
• Molecular Formula: C15H12O2
• Molecular Weight: 224.259
• European Community (EC) Number: 665-030-4
• NSC Number: 45823
• Nikkaji Number: J1.591.293F
• Mol file: 18019-56-2.mol

Synonyms:3-Methyl-3-phenyl-2-benzofuran-1(3H)-one;18019-56-2;NSC45823;3-Methyl-3-phenylisobenzofuran-1(3H)-one;NSC 45823;3-methyl-3-phenylphthalide;SCHEMBL11932064;NSC-45823;AKOS024324128;3-methyl-3-phenyl-isobenzofuran-1-one

Chemical Property of 3-Methyl-3-phenyl-2-benzofuran-1(3H)-one

Chemical Property:

• Vapor Pressure: 3.68E-06mmHg at 25°C
• Boiling Point: 385.9°Cat760mmHg
• Flash Point: 162.2°C
• Density: 1.188g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 224.083729621
• Heavy Atom Count: 17
• Complexity: 306

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3

Technology Process of 3-Methyl-3-phenyl-2-benzofuran-1(3H)-one

There total 17 articles about 3-Methyl-3-phenyl-2-benzofuran-1(3H)-one 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: 89.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-(2-bromophenyl)-1-phenylethan-1-ol (82645-13-4) → 3-methyl-3-phenylphthalide (18019-56-2)

Guidance literature:

With potassium acetate; palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In o-xylene; at 140 ℃; for 24h;

DOI:10.1021/acs.joc.6b01396

Reference yield: 88.0%

potassiumhexacyanoferrate(II) trihydrate + 1-(2-bromophenyl)-1-phenylethan-1-ol (82645-13-4) → 3-methyl-3-phenylphthalide (18019-56-2)

Guidance literature:

With 1H-imidazole; copper(l) iodide; In water; at 140 ℃; for 24h; Schlenk technique; Green chemistry;

DOI:10.1021/acs.joc.5b00888

Reference yield: 79.0%

2-(1-phenylethyl)benzoic acid (93898-92-1) → 3-methyl-3-phenylphthalide (18019-56-2)

Guidance literature:

With tetrabutylammonium tetrafluoroborate; In methanol; acetonitrile; at 20 ℃; regioselective reaction; Electrochemical reaction;

DOI:10.1021/acs.orglett.7b03617

upstream raw materials:

2-Benzoylbenzoic acid

methyl magnesium iodide

diethyl ether

ethyl 2-benzoylbenzoate

Downstream raw materials:

2-(1-phenylethenyl)benzoic acid

2-(2-chloro-1-phenyl-vinyl)-benzoic acid anilide

2-(1-phenylethyl)benzoic acid

4-phenyl-isoquinolin-1-ol