Tert-butyl 3-(2-chlorophenyl)-3-oxopropanoate

Base Information

Chemical Name:Tert-butyl 3-(2-chlorophenyl)-3-oxopropanoate
CAS No.:263239-24-3
Molecular Formula:C13H15ClO3
Molecular Weight:254.713
Hs Code.:2918300090
DSSTox Substance ID:DTXSID80449332
Nikkaji Number:J1.239.602C
Wikidata:Q82268756
Mol file:263239-24-3.mol

Synonyms:263239-24-3;tert-butyl 3-(2-chlorophenyl)-3-oxopropanoate;3-(2-CHLORO-PHENYL)-3-OXO-PROPIONIC ACID TERT-BUTYL ESTER;1,1-Dimethylethyl 2-chlorobenzoylacetate;SCHEMBL3566922;DTXSID80449332;YNKBEIHGXRCYFQ-UHFFFAOYSA-N;SB36279;tert-Butyl b-oxo-2-chloro-benzenepropanoate;tert-butyl3-(2-chlorophenyl)-3-oxopropanoate;3-(2-Chlorophenyl)-3-oxopropionic acid tert-butyl ester

Suppliers and Price of Tert-butyl 3-(2-chlorophenyl)-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

J&W Pharmlab
3-(2-Chloro-phenyl)-3-oxo-propionicacidtert-butylester 95%
1g
$ 998.00

J&W Pharmlab
3-(2-Chloro-phenyl)-3-oxo-propionicacidtert-butylester 95%
500mg
$ 549.00

J&W Pharmlab
3-(2-Chloro-phenyl)-3-oxo-propionicacidtert-butylester 95%
5g
$ 3998.00

Crysdot
tert-Butyl3-(2-chlorophenyl)-3-oxopropanoate 95+%
1g
$ 635.00

American Custom Chemicals Corporation
3-(2-CHLORO-PHENYL)-3-OXO-PROPIONIC ACID TERT-BUTYL ESTER 95.00%
5MG
$ 498.54

Alichem
tert-Butyl3-(2-chlorophenyl)-3-oxopropanoate
25g
$ 1365.52

Alichem
tert-Butyl3-(2-chlorophenyl)-3-oxopropanoate
10g
$ 844.87

Alichem
tert-Butyl3-(2-chlorophenyl)-3-oxopropanoate
5g
$ 656.60

Acrotein
tert-Butylb-oxo-2-chloro-benzenepropanoate 97%
0.5g
$ 183.33

Total 6 raw suppliers

Chemical Property of Tert-butyl 3-(2-chlorophenyl)-3-oxopropanoate

Chemical Property:

Boiling Point:302.7±17.0 °C(Predicted)
PKA:9.87±0.46(Predicted)
PSA：43.37000
Density:1.163±0.06 g/cm3(Predicted)
LogP:3.25450
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:254.0709720
Heavy Atom Count:17
Complexity:294

Purity/Quality:

97% ^*data from raw suppliers

3-(2-Chloro-phenyl)-3-oxo-propionicacidtert-butylester 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)CC(=O)C1=CC=CC=C1Cl

Technology Process of Tert-butyl 3-(2-chlorophenyl)-3-oxopropanoate

There total 4 articles about Tert-butyl 3-(2-chlorophenyl)-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: 86.0%

: 78181-04-1
5-(2-chlorobenzoyl)-2,2-dimethyl-1,3-dioxane-4,6-dione

: 75-65-0
tert-butyl alcohol

: 263239-24-3
1,1-dimethylethyl 2-chloro-β-oxobenzenepropionate

Guidance literature:: In toluene; at 80 - 85 ℃; for 4.5h;

Reference yield:

: 540-88-5
acetic acid tert-butyl ester

: 263239-24-3
1,1-dimethylethyl 2-chloro-β-oxobenzenepropionate

Guidance literature:: Multi-step reaction with 2 steps

1.1: lithium diisopropyl amide / tetrahydrofuran / 0.5 h / -78 °C / Inert atmosphere

1.2: 3 h / -78 °C

2.1: manganese(IV) oxide / dichloromethane / Reflux

With manganese(IV) oxide; lithium diisopropyl amide; In tetrahydrofuran; dichloromethane;
DOI:10.1002/anie.201209301