1-(2,5-Dimethylphenyl)butane-1,3-dione

Base Information

• Chemical Name: 1-(2,5-Dimethylphenyl)butane-1,3-dione
• CAS No.: 56290-55-2
• Molecular Formula: C₁₂H₁₄O₂
• Molecular Weight: 190.242
• DSSTox Substance ID: DTXSID10892433
• Wikidata: Q81982131
• Mol file: 56290-55-2.mol

Synonyms:1-(2,5-dimethylphenyl)butane-1,3-dione;56290-55-2;SCHEMBL9274950;DTXSID10892433;125DIMETHYLPHENYLBUTANE13DIONE;1-(2,5-Dimethylphenyl)-1,3-butanedione;EN300-1126183

Chemical Property of 1-(2,5-Dimethylphenyl)butane-1,3-dione

Chemical Property:

• Boiling Point: 99 °C (0.7 mmHg)
• PSA: 34.14000
• LogP: 2.46520
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

1-(2,5-DIMETHYLPHENYL)BUTANE-1,3-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2,5-Dimethylphenyl)butane-1,3-dione

There total 3 articles about 1-(2,5-Dimethylphenyl)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:

1-(2,5-dimethylphenyl)-1-ethanone (2142-73-6) + ethyl acetate (141-78-6) → 1-(2,5-dimethyl-phenyl)-butane-1,3-dione (56290-55-2)

Guidance literature:

With sodium amide; In diethyl ether;

Reference yield:

4-methyleneoxetan-2-one (674-82-8,2130-41-8) + para-xylene (106-42-3) → 1-(2,5-dimethyl-phenyl)-butane-1,3-dione (56290-55-2)

Guidance literature:

With aluminium trichloride;

Reference yield:

→ 1-(2,5-dimethyl-phenyl)-butane-1,3-dione (56290-55-2)

Guidance literature:

entspr. Diketen, o-Xylol, Fluorwasserstoffsaeure;

upstream raw materials:

4-methyleneoxetan-2-one

para-xylene

1-(2,5-dimethylphenyl)-1-ethanone

ethyl acetate

Downstream raw materials:

2-(2,5-dimethylbenzoyl)-3-methylquinoxaline 1,4-dioxide