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1,4-Diacetylbenzene

Base Information
  • Chemical Name:1,4-Diacetylbenzene
  • CAS No.:1009-61-6
  • Molecular Formula:C10H10O2
  • Molecular Weight:162.188
  • Hs Code.:29143990
  • European Community (EC) Number:213-769-4
  • NSC Number:295548
  • UNII:WM5GGF7BQ6
  • DSSTox Substance ID:DTXSID7021657
  • Nikkaji Number:J13.525I
  • Wikidata:Q63399973
  • ChEMBL ID:CHEMBL3186189
  • Mol file:1009-61-6.mol
1,4-Diacetylbenzene

Synonyms:Benzene,p-diacetyl- (6CI,8CI);4'-Acetylacetophenone;NSC 295548;p-Acetylacetophenone;p-Diacetylbenzene;

Suppliers and Price of 1,4-Diacetylbenzene
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
  • TRC
  • 1,1''-(1,4-phenylene)bis-Ethanone
  • 5g
  • $ 110.00
  • TCI Chemical
  • 1,4-Diacetylbenzene >99.0%(GC)
  • 5g
  • $ 57.00
  • TCI Chemical
  • 1,4-Diacetylbenzene >99.0%(GC)
  • 25g
  • $ 151.00
  • Sigma-Aldrich
  • 1,4-Diacetylbenzene 99%
  • 5g
  • $ 167.00
  • Matrix Scientific
  • 1,4-Diacetylbenzene
  • 10g
  • $ 108.00
  • Labseeker
  • 1,4-DIACETYLBENZENE 98
  • 500g
  • $ 1633.00
  • Frontier Specialty Chemicals
  • 1,4-Diacetylbenzene 99%
  • 5g
  • $ 49.00
  • Crysdot
  • 1,1'-(1,4-Phenylene)diethanone 97%
  • 500g
  • $ 885.00
  • Biosynth Carbosynth
  • 1,4-Diacetylbenzene
  • 2 g
  • $ 60.00
  • Biosynth Carbosynth
  • 1,4-Diacetylbenzene
  • 50 g
  • $ 500.00
Total 65 raw suppliers
Chemical Property of 1,4-Diacetylbenzene
Chemical Property:
  • Appearance/Colour:almost white to light brown crystalline powder 
  • Vapor Pressure:0.00115mmHg at 25°C 
  • Melting Point:111-113 °C(lit.) 
  • Refractive Index:1.519 
  • Boiling Point:300.068 °C at 760 mmHg 
  • Flash Point:112.06 °C 
  • PSA:34.14000 
  • Density:1.064 g/cm3 
  • LogP:2.09180 
  • Storage Temp.:Sealed in dry,Room Temperature 
  • Water Solubility.:6.309mg/L(25 oC) 
  • XLogP3:1.3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:2
  • Exact Mass:162.068079557
  • Heavy Atom Count:12
  • Complexity:166
Purity/Quality:

97% *data from raw suppliers

1,1''-(1,4-phenylene)bis-Ethanone *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
  • Statements: 36/37/38 
  • Safety Statements: 22-24/25 
MSDS Files:

SDS file from LookChem

Useful:
  • Chemical Classes:Other Classes -> Aromatic Ketones
  • Canonical SMILES:CC(=O)C1=CC=C(C=C1)C(=O)C
  • General Description 1,4-Diacetylbenzene (also known as p-diacetylbenzene or p-acetylacetophenone) is a symmetrical diacetylaromatic compound that can undergo enantioselective reduction using baker's yeast (Saccharomyces cerevisiae) to yield optically active secondary alcohols with high enantiomeric purity. This biocatalytic process offers a mild and efficient alternative to conventional chemical reduction methods, selectively producing monoalcohols over diols under optimized conditions.
Technology Process of 1,4-Diacetylbenzene

There total 108 articles about 1,4-Diacetylbenzene 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:
Guidance literature:
With trifluorormethanesulfonic acid; silver trifluoromethanesulfonate; C75H52AuClN2O2; In methanol; dichloromethane; water; at 20 ℃; for 20h;
DOI:10.1002/adsc.201800605
Guidance literature:
With trifluorormethanesulfonic acid; water; In 2,2,2-trifluoroethanol; at 25 ℃; for 45h; regioselective reaction; Sealed tube;
DOI:10.1021/acs.orglett.6b00801
Guidance literature:
1-ethenyl-2-pyrrolidinone; 4-acetylphenylboronic acid; With 2.9-dimethyl-1,10-phenanthroline; p-benzoquinone; palladium diacetate; In acetonitrile; at 100 ℃; for 0.166667h; microwave irradiation;
With silica gel; In ethyl acetate; Further stages.;
DOI:10.1021/jo701434s
Refernces

Highly enantioselective reduction of symmetrical diacetylaromatics with baker's yeast

10.1016/S0957-4166(97)00462-X

The research investigates the asymmetric reduction of various symmetrical diacetylaromatic compounds using baker's yeast (Saccharomyces cerevisiae) to obtain optically active secondary alcohols with high enantiomeric purity. The study explores the reduction of compounds such as 2,6-diacetylpyridine (la), 2,6-diacetylpyridine 1-oxide (lb), 1,2-diacetylb°enzene (lc), 1,3-diacetylbenzene (ld), 1,4-diacetylbenzene (le), 2,5-diacetylfuran (If), 2,5-diacetylthiophene (lg), and 2,5-diacetylpyrrole (lh). The researchers optimized reaction conditions to selectively produce monoalcohols over diols, achieving excellent yields and enantiomeric purities. Key chemicals involved in the research include the diacetylaromatic substrates, baker's yeast, sucrose, and various reagents used in the synthesis and analysis of the compounds, such as methoxymethoxyethyl groups, maleic acid, hydrogen peroxide, oxalyl chloride, dimethyl sulfoxide, and triethylamine. The study highlights the effectiveness of baker's yeast as a biocatalyst for enantioselective reductions under mild conditions, offering a valuable alternative to traditional chemical methods.

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