Methyl 2-(2-methylpropanoyl)benzoate

Base Information

Chemical Name:Methyl 2-(2-methylpropanoyl)benzoate
CAS No.:32025-38-0
Molecular Formula:C12H14O3
Molecular Weight:206.241
Hs Code.:
DSSTox Substance ID:DTXSID50493544
Wikidata:Q82340300

Synonyms:Methyl 2-(2-methylpropanoyl)benzoate;32025-38-0;Methyl 2-isobutyrylbenzoate;SCHEMBL10161076;DTXSID50493544

Suppliers and Price of Methyl 2-(2-methylpropanoyl)benzoate

Supply Marketing:

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

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Chemical Property of Methyl 2-(2-methylpropanoyl)benzoate

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:206.094294304
Heavy Atom Count:15
Complexity:245

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-(2-methylpropanoyl)benzoate

There total 5 articles about Methyl 2-(2-methylpropanoyl)benzoate 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: 65.0%

: 610-97-9
o-iodo-methyl-benzoic acid

: 78-84-2
isobutyraldehyde

: 32025-38-0
methyl 2-isobutyrylbenzoate

Guidance literature:: With tert.-butylhydroperoxide; palladium diacetate; silver(l) oxide; In water; at 120 ℃; for 12h; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.joc.6b01064

Reference yield: 15.0%

: 610-97-9
o-iodo-methyl-benzoic acid

: 79-30-1
isobutyryl chloride

: 32025-38-0
methyl 2-isobutyrylbenzoate

Guidance literature:: o-iodo-methyl-benzoic acid; With isopropylmagnesium chloride; In tetrahydrofuran; at -20 ℃; for 3.16667h;

isobutyryl chloride; In tetrahydrofuran; at -20 - 23 ℃;
DOI:10.1021/jm200808v

Reference yield:

: 85-44-9
phthalic anhydride

: 32025-38-0
methyl 2-isobutyrylbenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: copper(l) iodide / tetrahydrofuran / 3 h / -10 °C / Inert atmosphere; Schlenk technique

2: potassium carbonate / N,N-dimethyl-formamide / 0.17 h / 20 °C / Inert atmosphere; Schlenk technique

With copper(l) iodide; potassium carbonate; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1002/cctc.201700695