Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate

Base Information

Chemical Name:Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate
CAS No.:200280-57-5
Molecular Formula:C14H18O3
Molecular Weight:234.295
Hs Code.:2918300090
European Community (EC) Number:673-469-8
DSSTox Substance ID:DTXSID20373829
Nikkaji Number:J2.382.703D
Wikidata:Q82162178
Mol file:200280-57-5.mol

Synonyms:200280-57-5;methyl 3-(4-tert-butylphenyl)-3-oxopropanoate;3-(4-tert-Butyl-phenyl)-3-oxo-propionic acid methyl ester;Methyl 3-(4-(tert-butyl)phenyl)-3-oxopropanoate;3-(4-tert-butylphenyl)-3-oxo-propionic acidmethyl ester;Methyl 3-[4-(tert-Butyl)phenyl]-3-oxopropionate;SCHEMBL3955658;DTXSID20373829;SZYLQWHNAKARMD-UHFFFAOYSA-N;AKOS017547640;CS-0272568;methyl 3-(4-t-butylphenyl)-3-oxo-propanoate;EN300-1867869;Methyl3-(4-(tert-butyl)phenyl)-3-oxopropanoate;J-012956;3-(4-tert-Butylphenyl)-3-oxopropanoic acid methyl ester;3-(4-tert-butyl-phenyl)-3-oxo-propionic acidmethyl ester;3-(4-tert-butylphenyl)-3-oxo-propionic acid methyl ester;4-(1,1-dimethylethyl)-beta-oxo-benzenepropanoic acid methyl ester

Suppliers and Price of Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
Methyl3-(4-(tert-butyl)phenyl)-3-oxopropanoate 95+%
1g
$ 584.00

CHESS?
KM000149:3-(4-tert-Butyl-phenyl)-3-oxo-propionicacidmethylester 96
1 g
$ 276.00

American Custom Chemicals Corporation
3-(4-TERT-BUTYLPHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER 98.00%
1G
$ 1054.52

AHH
3-(4-tert-Butylphenyl)-3-oxo-propionicacidmethylester 98%
1g
$ 260.00

Total 9 raw suppliers

Chemical Property of Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate

Chemical Property:

Boiling Point:118°C/0.23mm
PKA:10.13±0.25(Predicted)
PSA：43.37000
Density:1.045±0.06 g/cm3(Predicted)
LogP:2.72990
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:234.125594432
Heavy Atom Count:17
Complexity:280

Purity/Quality:

98%min ^*data from raw suppliers

Methyl3-(4-(tert-butyl)phenyl)-3-oxopropanoate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate

There total 3 articles about Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate 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%

: 200280-57-5
methyl 3-(4-(tert-butyl)phenyl)-3-oxopropanoate

Guidance literature:: With sodium hydride; In tetrahydrofuran; mineral oil; for 17h; Reflux;

Reference yield: 85.0%

: 943-27-1
4'-t-butylacetophenone

: 616-38-6
carbonic acid dimethyl ester

: 200280-57-5
methyl 3-(4-(tert-butyl)phenyl)-3-oxopropanoate

Guidance literature:: With sodium hydride; In tetrahydrofuran; at 65 ℃; for 3h;

Reference yield: 62.0%

: 5788-17-0
methyl (2E)-3-methoxy-2-propenoate

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 200280-57-5
methyl 3-(4-(tert-butyl)phenyl)-3-oxopropanoate

Guidance literature:: methyl (2E)-3-methoxy-2-propenoate; 1-bromo-4-tert-butylbenzene; With sodium hydrogencarbonate; triphenylphosphine; bis(η3-allyl-μ-chloropalladium(II)); In N,N-dimethyl-formamide; at 150 ℃; for 20h;

With hydrogenchloride; In dichloromethane; water; at 25 ℃;
DOI:10.1016/j.tetlet.2005.11.071