1-(4-Methoxy-2-methylphenyl)butane-1,3-dione

Base Information

Chemical Name:1-(4-Methoxy-2-methylphenyl)butane-1,3-dione
CAS No.:147808-44-4
Molecular Formula:C₁₂H₁₄O₃
Molecular Weight:206.241
Hs Code.:
DSSTox Substance ID:DTXSID701247032

Synonyms:147808-44-4;DTXSID701247032;1,3-Butanedione, 1-(4-methoxy-2-methylphenyl)-

Suppliers and Price of 1-(4-Methoxy-2-methylphenyl)butane-1,3-dione

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 1-(4-Methoxy-2-methylphenyl)butane-1,3-dione

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:206.094294304
Heavy Atom Count:15
Complexity:247

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C=CC(=C1)OC)C(=O)CC(=O)C

Technology Process of 1-(4-Methoxy-2-methylphenyl)butane-1,3-dione

There total 2 articles about 1-(4-Methoxy-2-methylphenyl)butane-1,3-dione 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:

: 875-59-2
4'-hydroxy-2'methylacetophenone

: 147808-44-4
1-(4-Methoxy-2-methylphenyl)-1,3-butanedione

Guidance literature:: Multi-step reaction with 2 steps

1: 100 percent / K₂CO₃ / acetone / Heating

2: Na / 1) 0 deg C, 16 h, 2) r.t., 4 h

With sodium; potassium carbonate; In acetone;
DOI:10.1021/jo00063a049

Reference yield:

: 24826-74-2
1-(4-methoxy-2-methylphenyl)ethanone

: 141-78-6
ethyl acetate

: 147808-44-4
1-(4-Methoxy-2-methylphenyl)-1,3-butanedione

Guidance literature:: With sodium; Yield given; 1) 0 deg C, 16 h, 2) r.t., 4 h;
DOI:10.1021/jo00063a049

Reference yield:

: 147808-44-4
1-(4-Methoxy-2-methylphenyl)-1,3-butanedione

: 137018-54-3
(+/-)-Okicenone

Guidance literature:: Multi-step reaction with 3 steps

1: 1) iPr₂NLi, 2) DMPU / 1) THF, 0 deg C, 30 min, 2) THF, a) 0 deg C, 10 min, 2) r.t., 3 h

2: 42 percent / Mn(OAc)3*2H₂O, AcOH / 0.1 h / 120 °C

3: 67 percent / BBr₃ / CH₂Cl₂ / 1) -78 deg C, 2) r.t., 3 h

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; manganese triacetate; boron tribromide; acetic acid; lithium diisopropyl amide; In dichloromethane;
DOI:10.1021/jo00063a049