1,4-Butanedione, 2-methyl-1,4-diphenyl-

Base Information

• Chemical Name: 1,4-Butanedione, 2-methyl-1,4-diphenyl-
• CAS No.: 15982-59-9
• Molecular Formula: C17H16O2
• Molecular Weight: 252.313
• DSSTox Substance ID: DTXSID50442830
• Nikkaji Number: J275.881D
• Mol file: 15982-59-9.mol

Synonyms:1,4-Butanedione, 2-methyl-1,4-diphenyl-;15982-59-9;2-methyl-1,4-diphenylbutane-1,4-dione;2-methyl-1,4-diphenyl-1,4-butanedione;DTXSID50442830;1,4-Diphenyl-2-methylbutane-1,4-dione

Chemical Property of 1,4-Butanedione, 2-methyl-1,4-diphenyl-

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 252.115029749
• Heavy Atom Count: 19
• Complexity: 309

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2

Technology Process of 1,4-Butanedione, 2-methyl-1,4-diphenyl-

There total 39 articles about 1,4-Butanedione, 2-methyl-1,4-diphenyl- 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: 98.0%

1-styrenyloxytrimethylsilane (13735-81-4) + (Z)-9-(1-phenylprop-1-enyloxy)-9-borabicyclo[3.3.1]nonane (120331-99-9) → 2-methyl-1,4-diphenylbutane-1,4-dione (15982-59-9)

Guidance literature:

With oxovanadium(V) ethoxydichloride; In dichloromethane; at 20 ℃; for 20h; Inert atmosphere; Glovebox;

DOI:10.1021/jacs.5b05058

Reference yield: 87.0%

2-chloro-1-phenylpropan-1-one (6084-17-9) + 1-acetoxy-1-phenylethene (2206-94-2) → 2-methyl-1,4-diphenylbutane-1,4-dione (15982-59-9)

Guidance literature:

With dipotassium hydrogenphosphate; fac-tris(2-phenylpyridinato-N,C₂')iridium(III); In acetone; at 20 ℃; for 24h; Inert atmosphere; Sealed tube; Irradiation;

DOI:10.1002/adsc.202000791

Reference yield: 86.0%

1-styrenyloxytrimethylsilane (13735-81-4) + 2-bromo-1-phenyl-1-propanone (2114-00-3) → 3-methyl-2,5-diphenylfuran (84302-11-4) + 2-methyl-1,4-diphenylbutane-1,4-dione (15982-59-9)

Guidance literature:

[ReCl(N₂)(PMe₂Ph)4]; In N,N-dimethyl-formamide; Heating;

DOI:10.1246/bcsj.71.475

upstream raw materials:

α-methoxystyrene

(Z)-2-methyl-1,4-diphenylbut-2-ene-1,4-dione

(E)-2-methyl-1,4-diphenylbut-2-ene-1,4-dione

2-bromo-3-methyl-1,4-diphenyl-but-2c-ene-1,4-dione

Downstream raw materials:

3-methyl-2,5-diphenylfuran

2,4,6-tris(4-methoxyphenyl)-2,4,6-trisulfanylene-1,3,5,2,4,6-trioxatriphosphinane

4-methyl-2,5-diphenylthiophene,

3‐methyl‐2,5‐diphenyl‐1H‐pyrrole