Propan-2-yl 2-(4-methylphenyl)-2-oxoacetate

Base Information

Chemical Name:Propan-2-yl 2-(4-methylphenyl)-2-oxoacetate
CAS No.:101128-43-2
Molecular Formula:C₁₂H₁₄O₃
Molecular Weight:206.241
Hs Code.:
DSSTox Substance ID:DTXSID501265713
Nikkaji Number:J1.706.731A

Synonyms:101128-43-2;SCHEMBL19367967;DTXSID501265713;1-Methylethyl 4-methyl-alpha-oxobenzeneacetate

Suppliers and Price of Propan-2-yl 2-(4-methylphenyl)-2-oxoacetate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Propan-2-yl 2-(4-methylphenyl)-2-oxoacetate

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:206.094294304
Heavy Atom Count:15
Complexity:237

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(=O)C(=O)OC(C)C

Technology Process of Propan-2-yl 2-(4-methylphenyl)-2-oxoacetate

There total 8 articles about Propan-2-yl 2-(4-methylphenyl)-2-oxoacetate 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: 82.0%

: 1432320-26-7
isopropyl alpha-p-methylphenyldiazoacetate

: 101128-43-2
isopropyl-2-oxo-2-(4-tolyl)acetate

Guidance literature:: With tris(pentafluorophenyl)borate; dimethyl sulfoxide; at 90 ℃; for 3h; Inert atmosphere;
DOI:10.1002/adsc.202101336

Reference yield:

: 5524-56-1
ethyl 2-p-tolyl-2-oxoacetate

: 101128-43-2
isopropyl-2-oxo-2-(4-tolyl)acetate

Guidance literature:: Multi-step reaction with 3 steps

1: sodium hydroxide / Inert atmosphere

2: N,N-dimethyl-formamide; oxalyl dichloride / dichloromethane / 20 °C / Inert atmosphere

3: triethylamine / dichloromethane / 20 °C / Inert atmosphere

With oxalyl dichloride; triethylamine; N,N-dimethyl-formamide; sodium hydroxide; In dichloromethane;
DOI:10.1039/c4cc00427b

Reference yield:

: 201230-82-2
carbon monoxide

: 624-31-7
4-tolyl iodide

: 67-63-0,8013-70-5
isopropyl alcohol

: 19277-55-5
isopropyll 4-methylbenzoate

: 101128-43-2
isopropyl-2-oxo-2-(4-tolyl)acetate

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; triethylamine; at 80 ℃; for 12h; under 114000 Torr;
DOI:10.1021/jo00235a017