3-Benzyl-2H-1-benzopyran-2-one

Base Information

Chemical Name:3-Benzyl-2H-1-benzopyran-2-one
CAS No.:20280-86-8
Molecular Formula:C16H12O2
Molecular Weight:236.27
Hs Code.:
ChEMBL ID:CHEMBL472493
DSSTox Substance ID:DTXSID50516161
Nikkaji Number:J1.227.851I
Wikidata:Q82377450

Synonyms:3-Benzylchromen-2-one;3-benzyl-2H-chromen-2-one;CHEMBL472493;3-Benzyl-2H-1-benzopyran-2-one;3-benzylcoumarin;20280-86-8;SCHEMBL19331106;DTXSID50516161;BDBM50278256

Suppliers and Price of 3-Benzyl-2H-1-benzopyran-2-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 3-Benzyl-2H-1-benzopyran-2-one

Chemical Property:

Melting Point:110-113 °C
Boiling Point:415.9±24.0 °C(Predicted)
PSA：30.21000
Density:1?+-.0.06 g/cm3(Predicted)
LogP:3.38380
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:236.083729621
Heavy Atom Count:18
Complexity:339

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CC2=CC3=CC=CC=C3OC2=O

Technology Process of 3-Benzyl-2H-1-benzopyran-2-one

There total 21 articles about 3-Benzyl-2H-1-benzopyran-2-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: 94.0%

: 98994-33-3
3-chloromethyl-chromen-2-one

: 98-80-6
phenylboronic acid

: 20280-86-8
3-benzyl-2H-chromen-2-one

Guidance literature:: With palladium diacetate; sodium carbonate; In methanol; at 20 ℃; for 1h; Inert atmosphere;
DOI:10.5012/bkcs.2011.32.8.2897

Reference yield: 85.0%

: 90-02-8
salicylaldehyde

: 501-52-0
3-Phenylpropionic acid

: 20280-86-8
3-benzyl-2H-chromen-2-one

Guidance literature:: With N-[(dichlorophosphinoyloxy)methylene]-N-methylmethanammonium chloride; triethylamine; In dichloromethane; 1.) room temp., 5 min, 2.) 60 deg C, 30 min;
DOI:10.1055/s-1986-31877

Reference yield: 80.0%

: 91-64-5
coumarin

: 100-51-6,185532-71-2
benzyl alcohol

: 20280-86-8
3-benzyl-2H-chromen-2-one

Guidance literature:: With piperidine; iododioxobis(triphenylphosphine)rhenium(V); In benzene; at 150 ℃; for 24h; Inert atmosphere; Sealed tube;
DOI:10.1021/acs.joc.9b03150