1-(2,3-Dimethylphenyl)ethanone

Base Information

• Chemical Name: 1-(2,3-Dimethylphenyl)ethanone
• CAS No.: 2142-71-4
• Molecular Formula: C10H12O
• Molecular Weight: 148.205
• Hs Code.: 2914399090
• European Community (EC) Number: 840-160-6
• DSSTox Substance ID: DTXSID50175691
• Nikkaji Number: J1.559.026B
• Wikidata: Q72468754
• Mol file: 2142-71-4.mol

Synonyms:1-(2,3-Dimethylphenyl)ethanone;2142-71-4;2',3'-DIMETHYLACETOPHENONE;2,3-DIMETHYLACETOPHENONE;Ethanone,1-(2,3-dimethylphenyl)-;MFCD03844735;2,3-(CH3)=C6H3-COCH3;1-(2,3-dimethylphenyl)ethan-1-one;SCHEMBL697259;DTXSID50175691;AMY11269;CK2574;AKOS011841437;DS-5017;SY045549;CS-0044176;FT-0634061;EN300-78212;A815339;Z992749248;2 inverted exclamation mark ,3 inverted exclamation mark -Dimethylacetophenone

Chemical Property of 1-(2,3-Dimethylphenyl)ethanone

Chemical Property:

• Melting Point: -14.3 °C
• Boiling Point: 236.65 °C at 760 mmHg
• Flash Point: 92.375 °C
• PSA: 17.07000
• Density: 0.965 g/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:

98%,99%, ^*data from raw suppliers

1-(2,3-Dimethylphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C(=O)C)C
• Uses: 2,3-Dimethylacetophenone is used in the preparation of molecules with in vitro anti-mycobacterial activities

Technology Process of 1-(2,3-Dimethylphenyl)ethanone

There total 12 articles about 1-(2,3-Dimethylphenyl)ethanone 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: 79.2%

3-chloro-o-xylene (608-23-1) + acetic anhydride (108-24-7) → 1-(2,3-dimethyl-phenyl)-ethanone (2142-71-4)

Guidance literature:

3-chloro-o-xylene; With ethylmagnesium bromide; magnesium; lithium chloride; In tetrahydrofuran; at 40 - 50 ℃; for 10h;

acetic anhydride; In tetrahydrofuran; toluene; at -5 - 5 ℃; for 2h; Temperature; Inert atmosphere;

Reference yield: 61.0%

acetyl iodide (507-02-8) + o-xylene (95-47-6) → 1-(2,3-dimethyl-phenyl)-ethanone (2142-71-4)

Guidance literature:

UV-irradiation;

DOI:10.1134/S0012500810110066

Reference yield: 5.0%

o-xylene (95-47-6) + acetic acid (64-19-7,77671-22-8) → 1-(2,3-dimethyl-phenyl)-ethanone (2142-71-4) + 3,4-dimethylacetophenone (3637-01-2)

Guidance literature:

With phosphorus pentoxide; Title compound not separated from byproducts;

DOI:10.1016/S0040-4020(01)96389-6

upstream raw materials:

2,3-dimethylbenzoyl chloride

dimethylcadmium

acetic acid

2,3-dimethylbenzoic acid

Downstream raw materials:

2-(2,3-dimethylphenyl)-2-methyloxirane

4-<1-(2,3-dimethylphenyl)-1-hydroxyethyl>-1-(triphenylmethyl)imidazole

dexmedetomidine

1-(2,3-Dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol

Refernces

• 1、 -. "METHOD FOR PRODUCING 2',3'-DIMETHYL AROMATIC KETONE". Paragraph 0031-0038. . Retrieved 2021/04/09.
• 2、 Vlasova,Vlasov,Grigor'eva,Albanov,Voronkov. "Acyl iodides in the reaction of photochemical Friedel-Crafts acylation". scheme or table. p. 294 - 296. Retrieved 2011/08/22.