2',5'-Dimethylacetophenone

Base Information

• Chemical Name: 2',5'-Dimethylacetophenone
• CAS No.: 2142-73-6
• Molecular Formula: C10H12O
• Molecular Weight: 148.205
• Hs Code.: 29143990
• European Community (EC) Number: 218-399-7
• NSC Number: 6325
• UNII: YX9C3B7KVG
• DSSTox Substance ID: DTXSID6062202
• Nikkaji Number: J149.367A
• Wikidata: Q72468756
• Mol file: 2142-73-6.mol

Synonyms:2',5'-Dimethylacetophenone;2142-73-6;1-(2,5-Dimethylphenyl)ethanone;2,5-Dimethylacetophenone;Ethanone, 1-(2,5-dimethylphenyl)-;1-(2,5-Dimethylphenyl)ethan-1-one;Acetophenone, 2',5'-dimethyl-;2.5-Dimethylacetophenone;NSC-6325;AI3-01857;NSC6325;2-Acetyl-p-xylene;YX9C3B7KVG;2,5-dimethyl-acetophenone;Acetophenone,5'-dimethyl-;Ethanone,5-dimethylphenyl)-;SCHEMBL697905;2/',5/'-Dimethylacetophenone;DTXSID6062202;2',5'-Dimethylacetophenone, 97%;AMY28037;NSC 6325;1-(2,5-Dimethylphenyl)ethanone #;EINECS 218-399-7;MFCD00014988;STK397469;AKOS000120561;2,5-(CH3)2C6H3-COCH3;CS-0153347;D1880;FT-0610450;EN300-21050;W-107554;F0001-0768;Z104486864

Chemical Property of 2',5'-Dimethylacetophenone

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 0.0653mmHg at 25°C
• Melting Point: -18.1°C
• Refractive Index: n20/D 1.529(lit.)
• Boiling Point: 230.6 °C at 760 mmHg
• Flash Point: 88.8 °C
• PSA: 17.07000
• Density: 1.451g/cm³
• LogP: 2.50600
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

2'',5''-Dimethylacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36-20/22
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C)C(=O)C
• Uses: 2'',5''-Dimethylacetophenone is a building block used in the preparation of redox-active alkyl-substituted aryldioxobutanoic acids. 2'',5''-Dimethylacetophenone also appears in the synthesis of antimicrobial imidazo[1,2-a]pyridine derivatives.

Technology Process of 2',5'-Dimethylacetophenone

There total 32 articles about 2',5'-Dimethylacetophenone 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: 99.0%

para-xylene (106-42-3) + acetyl chloride (75-36-5) → 1-(2,5-dimethylphenyl)-1-ethanone (2142-73-6)

Guidance literature:

With aluminum (III) chloride; In chloroform; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/ol901707h

Reference yield: 91.0%

para-xylene (106-42-3) + acetic anhydride (108-24-7) → 1-(2,5-dimethylphenyl)-1-ethanone (2142-73-6)

Guidance literature:

With aluminium dodecatungsten phosphate; at 60 - 70 ℃; for 6h;

DOI:10.1016/j.tet.2004.09.049

Reference yield: 80.0%

para-xylene (106-42-3) + acetyl phenyl selenide (38447-66-4) → 1-(2,5-dimethylphenyl)-1-ethanone (2142-73-6)

Guidance literature:

With 9,10-dimethoxyanthracene; In acetonitrile; at 20 ℃; Inert atmosphere; Irradiation;

DOI:10.1039/c7cc07529d

upstream raw materials:

acetic acid

2,5-dimethylbenzoic acid

para-xylene

2-acetoxy-2-methylpropanoyl chloride

Downstream raw materials:

4-[(2,5-dimethyl-phenyl)-thioacetyl]-morpholine

3-(2,5-dimethyl-phenyl)-4,5-dihydro-1H-pyrazole

3-dimethylamino-1-(2,5-dimethyl-phenyl)-propan-1-one

3-ethyl-2-[2-(2,5-dimethyl-phenyl)-propenyl]-benzothiazolium; iodide