3,3-Diphenyl-3,4-dihydro-1h-isochromen-1-one

Base Information

• Chemical Name: 3,3-Diphenyl-3,4-dihydro-1h-isochromen-1-one
• CAS No.: 2674-45-5
• Molecular Formula: C21H16 O2
• Molecular Weight: 300.3505
• European Community (EC) Number: 665-043-5
• NSC Number: 168658,97462
• DSSTox Substance ID: DTXSID20294626
• Nikkaji Number: J515.088D
• Wikidata: Q82034008
• Mol file: 2674-45-5.mol

Synonyms:2674-45-5;3,3-Diphenylisochroman-1-one;3,3-diphenyl-3,4-dihydro-1H-2-benzopyran-1-one;1H-2-Benzopyran-1-one,3,4-dihydro-3,3-diphenyl-;NSC 97462;NSC 168658;3,3-diphenyl-3,4-dihydro-1h-isochromen-1-one;NSC97462;DTXSID20294626;NSC-97462;NSC168658;AKOS016339306;NSC-168658;3,4-DIHYDRO-3,3-DIPHENYL-1H-2-BENZOPYRAN-1-ONE

Chemical Property of 3,3-Diphenyl-3,4-dihydro-1h-isochromen-1-one

Chemical Property:

• Vapor Pressure: 1.3E-08mmHg at 25°C
• Boiling Point: 459.1°Cat760mmHg
• Flash Point: 194.4°C
• Density: 1.198g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 300.115029749
• Heavy Atom Count: 23
• Complexity: 400

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2C(=O)OC1(C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of 3,3-Diphenyl-3,4-dihydro-1h-isochromen-1-one

There total 15 articles about 3,3-Diphenyl-3,4-dihydro-1h-isochromen-1-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: 88.0%

1,1-Diphenylethylene (530-48-3) + ortho-carboxybenzenediazonium tetrafluoroborate (14783-89-2) → 3,3-diphenylisochroman-1-one (2674-45-5)

Guidance literature:

With {Ru(dipy)3}Cl₂*nH₂O; In acetonitrile; at 23 ℃; for 2h; Sealed tube; Irradiation; Inert atmosphere;

DOI:10.1002/ejoc.201601458

Reference yield: 52.0%

1,1-Diphenylethylene (530-48-3) + o-iodo-methyl-benzoic acid (610-97-9) → 3,3-diphenylisochroman-1-one (2674-45-5)

Guidance literature:

With 1,1,1,3',3',3'-hexafluoro-propanol; palladium diacetate; toluene-4-sulfonic acid; silver carbonate; tris(para-trifluoromethyl)phenyl phosphine; In o-xylene; at 130 ℃; for 48h; Reagent/catalyst;

DOI:10.1002/adsc.201801507

Reference yield:

benzophenone (119-61-9) + 2-Butyltellanylmethyl-benzoic acid ethyl ester → 3,3-diphenylisochroman-1-one (2674-45-5)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at -105 ℃; for 0.25h; Yield given;

DOI:10.1055/s-1997-1538

upstream raw materials:

2-(1-methoxycarbonyl-2,2-diphenyl-vinyl)-benzoic acid

benzophenone

ethyl 2-methylbenzoate

2-ethoxycarbonylbenzyl bromide

Downstream raw materials:

2-(2,2-diphenyl-ethyl)-benzoic acid