1,3-Propanedione, 1,3-bis(4-methoxyphenyl)-2,2-dimethyl-

Base Information

• Chemical Name: 1,3-Propanedione, 1,3-bis(4-methoxyphenyl)-2,2-dimethyl-
• CAS No.: 95581-17-2
• Molecular Formula: C19H20O4
• Molecular Weight: 312.365
• DSSTox Substance ID: DTXSID00434664
• Nikkaji Number: J1.198.015E
• Wikidata: Q82249134

Synonyms:1,3-Propanedione, 1,3-bis(4-methoxyphenyl)-2,2-dimethyl-;95581-17-2;DTXSID00434664;1,3-Bis(4-methoxyphenyl)-2,2-dimethyl-1,3-propanedione

Chemical Property of 1,3-Propanedione, 1,3-bis(4-methoxyphenyl)-2,2-dimethyl-

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 312.13615911
• Heavy Atom Count: 23
• Complexity: 375

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3-Propanedione, 1,3-bis(4-methoxyphenyl)-2,2-dimethyl-

There total 3 articles about 1,3-Propanedione, 1,3-bis(4-methoxyphenyl)-2,2-dimethyl- 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: 58.0%

1,3-bis(4'-methoxyphenyl)propane-1,3-dione (18362-51-1) + methyl iodide (74-88-4) → 2,2-Dimethyl-1,3-bis(4'-methoxyphenyl)-1,3-propanedione (95581-17-2)

Guidance literature:

With potassium carbonate; In chloroform; dimethyl sulfoxide; 1.) 0 deg C, 2 h, 2.) room temp., 14 h;

DOI:10.1021/jo00093a010

Reference yield: 43.0%

methoxybenzene (100-66-3) + 2,2-Dimethylmalonyl chloride (5659-93-8) → 2,2-Dimethyl-1,3-bis(4'-methoxyphenyl)-1,3-propanedione (95581-17-2)

Guidance literature:

aluminium trichloride; 1) 0 deg C, 2) r.t., 2 h;

Reference yield:

2-methoxy-benzonitrile (6609-56-9) → 1-(2-methoxyphenyl)-2-methylpropan-1-one (74786-53-1) + 2,2-Dimethyl-1,3-bis(4'-methoxyphenyl)-1,3-propanedione (95581-17-2)

Guidance literature:

In tetrahydrofuran; at 25 ℃; for 24h;

DOI:10.1002/1099-0682(200212)2002:12<3091::AID-EJIC3091>3.0.CO;2-Y

upstream raw materials:

methoxybenzene

2,2-Dimethylmalonyl chloride

1,3-bis(4'-methoxyphenyl)propane-1,3-dione

methyl iodide

Downstream raw materials:

4,4-Dimethyl-3,5-bis(4'-methoxyphenyl)-4H-pyrazole

meso-1,3-Bis(4-methoxyphenyl)-2,2-dimethyl-1,3-propandiol

anti-2,2-dimethyl-1,3-bis(4-methoxyphenyl)-1,3-propanediol

3,5-Bis-(4-methoxy-phenyl)-4,4,5-trimethyl-4,5-dihydro-1H-pyrazole

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