1,3-Propanedione, 1-(2-methylphenyl)-3-phenyl-

Base Information

Chemical Name:1,3-Propanedione, 1-(2-methylphenyl)-3-phenyl-
CAS No.:61001-54-5
Molecular Formula:C16H14O2
Molecular Weight:238.286
Hs Code.:
DSSTox Substance ID:DTXSID50436678
Nikkaji Number:J1.265.442A
Wikidata:Q82251959

Synonyms:61001-54-5;1,3-Propanedione, 1-(2-methylphenyl)-3-phenyl-;SCHEMBL269381;DTXSID50436678;ORQASOICDDWFLZ-UHFFFAOYSA-N;1-Phenyl-3-(o-tolyl)-1,3-propanedione;1-Phenyl-3-(2-methylphenyl)-1,3-propanedione

Suppliers and Price of 1,3-Propanedione, 1-(2-methylphenyl)-3-phenyl-

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 1,3-Propanedione, 1-(2-methylphenyl)-3-phenyl-

Chemical Property:

PSA：34.14000
LogP:3.45070
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:238.099379685
Heavy Atom Count:18
Complexity:302

Purity/Quality:: ≥99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=CC=C1C(=O)CC(=O)C2=CC=CC=C2

Technology Process of 1,3-Propanedione, 1-(2-methylphenyl)-3-phenyl-

There total 13 articles about 1,3-Propanedione, 1-(2-methylphenyl)-3-phenyl- 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: 92.4%

: C₁₉H₁₆N₂O

: 61001-54-5
2-methyldibenzoylmethane

Guidance literature:: With sodium hydroxide; at 20 ℃; for 4h;

Reference yield: 78.0%

: 932-90-1
Benzaldoxime

: 172264-69-6
1-(2-methylphenyl)-3-phenylprop-2-yn-1-one

: 61001-54-5
2-methyldibenzoylmethane

: 100-47-0
benzonitrile

Guidance literature:: With triphenylphosphine; In dichloromethane; at 25 ℃; for 5h; Inert atmosphere; Schlenk technique; Sealed tube;
DOI:10.1039/c8ob01861h

Reference yield: 65.0%

: 98-88-4
benzoyl chloride

: 577-16-2,122382-54-1
2-Methylacetophenone

: 61001-54-5
2-methyldibenzoylmethane

Guidance literature:: 2-Methylacetophenone; In toluene; at 0 ℃; for 0.5h; Inert atmosphere;

With lithium hexamethyldisilazane; In tetrahydrofuran; toluene; at 0 ℃; for 0.5h; Inert atmosphere;

benzoyl chloride; In tetrahydrofuran; toluene; for 0.0333333h; Inert atmosphere;
DOI:10.1021/acs.joc.0c02366