5'-Isopropyl-2'-methylacetophenone

Base Information

• Chemical Name: 5'-Isopropyl-2'-methylacetophenone
• CAS No.: 1202-08-0
• Molecular Formula: C12H16 O
• Molecular Weight: 176.258
• Hs Code.: 2914399090
• European Community (EC) Number: 214-862-2
• NSC Number: 9414
• UNII: 3YKN12PCEQ
• DSSTox Substance ID: DTXSID1074468
• Nikkaji Number: J96.126D
• Wikidata: Q27258211
• Mol file: 1202-08-0.mol

Synonyms:1202-08-0;5'-Isopropyl-2'-methylacetophenone;1-(2-methyl-5-propan-2-ylphenyl)ethanone;UNII-3YKN12PCEQ;3YKN12PCEQ;5/'-Isopropyl-2/'-methylacetophenone;5-Isopropyl-2-methylacetophenone;1-[2-methyl-5-(propan-2-yl)phenyl]ethan-1-one;NSC-9414;EINECS 214-862-2;AI3-17974;Ethanone, 1-(2-methyl-5-(1-methylethyl)phenyl)-;Ethanone, 1-[2-methyl-5-(1-methylethyl)phenyl]-;1-(5-isopropyl-2-methylphenyl)ethanone;NSC9414;Carvacrylmethylketon;2-Aceto-p-cymene;SCHEMBL3210024;DTXSID1074468;NSC 9414;Acetophenone, 5-isopropyl-2-methyl-;Acetophenone, 2'-methyl-5'-isopropyl;AKOS006228106;1-(5-isopropyl-2-methyl-phenyl)-ethanone;5'-ISOPROPYL-2'-METHYL-ACETOPHENONE;FT-0652395;A804466;Q27258211

Chemical Property of 5'-Isopropyl-2'-methylacetophenone

Chemical Property:

• Refractive Index: 1.5181 (estimate)
• Boiling Point: 249.5°C (estimate)
• Flash Point: 97.6oC
• PSA: 17.07000
• Density: 0.9560
• LogP: 3.32100
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

97% ^*data from raw suppliers

1-(5-ISOPROPYL-2-METHYLPHENYL)ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5'-Isopropyl-2'-methylacetophenone

There total 17 articles about 5'-Isopropyl-2'-methylacetophenone 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: 89.0%

4-methylisopropylbenzene (99-87-6) + acetyl chloride (75-36-5) → 2-methyl-5-isopropylacetophenone (1202-08-0)

Guidance literature:

With iron(III) oxide; at 20 ℃; for 0.166667h; regioselective reaction;

DOI:10.1002/adsc.201000319

Reference yield: 80.0%

1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)ethanone (3608-11-5) → 2-methyl-5-isopropylacetophenone (1202-08-0)

Guidance literature:

With N-Bromosuccinimide; N,N-dimethyl-formamide; at 60 - 80 ℃;

Reference yield: 50.0%

(+/-)-1-(2-hydroxy-5-isopropyl-2-methyl-5-nitrocyclohexyl)-1-ethanone (105789-36-4) → 2-methyl-5-isopropylacetophenone (1202-08-0)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 15h; Heating;

DOI:10.1021/jo0006324

upstream raw materials:

4-methylisopropylbenzene

acetic anhydride

m-cymene

acetyl chloride

Downstream raw materials:

1-[5-(1-Hydroperoxy-1-methyl-ethyl)-2-methyl-phenyl]-ethanone

1-(5-{1-[1-(3-Acetyl-4-methyl-phenyl)-1-methyl-ethylperoxy]-1-methyl-ethyl}-2-methyl-phenyl)-ethanone

ethylisopropylmethylbenzene

4-methylisopropylbenzene