2-Isopropylacetophenone

Base Information

• Chemical Name: 2-Isopropylacetophenone
• CAS No.: 2142-65-6
• Molecular Formula: C11H14O
• Molecular Weight: 162.232
• Hs Code.: 2914399090
• NSC Number: 143777
• UNII: ZU2C4H6F7K
• DSSTox Substance ID: DTXSID80175689
• Nikkaji Number: J1.559.020C
• Wikidata: Q83046018
• Mol file: 2142-65-6.mol

Synonyms:2142-65-6;2-Isopropylacetophenone;1-(2-isopropylphenyl)ethanone;1-(2-propan-2-ylphenyl)ethanone;1-[2-(propan-2-yl)phenyl]ethan-1-one;ZU2C4H6F7K;Acetophenone, 2'-isopropyl-;NSC-143777;Ethanone, 1-[2-(1-methylethyl)phenyl]-;Ethanone, 1-[(1-methylethyl)phenyl]-;acetocumene;o-Isopropylphenyl methyl ketone;NSC143777;2'-Isopropylacetophenone;2'-iso-Propylacetophenone;UNII-ZU2C4H6F7K;SCHEMBL1635308;DTXSID80175689;1-(2-Isopropylphenyl)ethan-1-one;CAA14265;1-[2-(1-Methylethyl)phenyl]ethanone;AKOS013203012;NSC 143777;EN300-305249

Chemical Property of 2-Isopropylacetophenone

Chemical Property:

• Vapor Pressure: 0.0438mmHg at 25°C
• Boiling Point: 237.8°Cat760mmHg
• Flash Point: 91.8°C
• PSA: 17.07000
• Density: 0.948g/cm³
• LogP: 3.01260
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Isopropylphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1=CC=CC=C1C(=O)C

Technology Process of 2-Isopropylacetophenone

There total 11 articles about 2-Isopropylacetophenone 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: 91.3%

2-isopropyl-N-methoxy-N-methylbenzamide + methylmagnesium bromide (75-16-1) → 1-(2-(propan-2-yl)phenyl)ethan-1-one (2142-65-6)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 2h; Inert atmosphere;

Reference yield: 90.0%

1-(2-chlorophenyl)ethanone (2142-68-9) + isopropylmagnesium chloride (1068-55-9) → 1-(2-(propan-2-yl)phenyl)ethan-1-one (2142-65-6)

Guidance literature:

isopropylmagnesium chloride; With lithium chloride; manganese(ll) chloride; In tetrahydrofuran; at -60 ℃;

1-(2-chlorophenyl)ethanone; In tetrahydrofuran; at -60 ℃; for 0.5h;

DOI:10.1021/ol048842g

Reference yield: 68.0%

(E)-4-methoxy-N-(1-phenylethylidene)benzenamine (2743-00-2,125231-22-3) + isopropyl bromide (75-26-3) → 1-(2-(propan-2-yl)phenyl)ethan-1-one (2142-65-6)

Guidance literature:

With 1,3-diisopropylimidazolium tetrafluoroborate; neopentylmagnesium bromide; cobalt(II) bromide; In tetrahydrofuran; at 20 ℃; for 6h; Schlenk technique;

DOI:10.1055/s-0033-1338658

upstream raw materials:

acetonitrile

1-(2-chlorophenyl)ethanone

isopropylmagnesium chloride

(η(6)-iso-propylbenzene)chromium tricarbonyl

Downstream raw materials:

2-isopropylbenzoic acid

2-Isopropylbenzoesaeuremethylester

Refernces

• 1、 Hornillos, Valentn,Giannerini, Massimo,Vila, Carlos,Faans-Mastral, Martn,Feringa, Ben L.. "Direct catalytic cross-coupling of alkenyllithium compounds". . p. 1394 - 1398. Retrieved 2015/02/19.
• 2、 Gao, Ke,Yoshikai, Naohiko. "Cobalt-catalyzed ortho alkylation of aromatic imines with primary and secondary alkyl halides". supporting information. p. 9279 - 9282. Retrieved 2013/07/19.