1-Boc-4-(2-(4-Fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine

Base Information

Chemical Name:1-Boc-4-(2-(4-Fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine
CAS No.:1082949-99-2
Molecular Formula:C20H24F4N2O4
Molecular Weight:432.415
Hs Code.:2933399090
DSSTox Substance ID:DTXSID80701740
Wikidata:Q72477568
Mol file:1082949-99-2.mol

Synonyms:1082949-99-2;1-Boc-4-(2-(4-Fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine;tert-butyl 4-(2-(4-fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine-1-carboxylate;1-Boc-4-(2-(4-Fluoro-3-(trifluoromethyl)-phenyl)-2-oxoethylcarbamoyl)piperidine;tert-butyl 4-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate;tert-butyl 4-((2-(4-fluoro-3-(trifluoromethyl)phenyl)-2-oxoethyl)carbamoyl)piperidine-1-carboxylate;tert-Butyl 4-({2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxoethyl}carbamoyl)piperidine-1-carboxylate;SCHEMBL2063004;DTXSID80701740;AKOS016007627;CS-13206;tert-Butyl4-(2-(4-fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine-1-carboxylate;CS-0028273;4-(2-(4-Fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine-1-carboxylic acid tert-butyl ester;4-[2-(4-Fluoro-3-trifluoromethyl-phenyl)-2-oxo-ethylcarbamoyl]-piperidine-1-carboxylic acid tert-butyl ester

Suppliers and Price of 1-Boc-4-(2-(4-Fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine

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

Matrix Scientific
1-Boc-4-(2-(4-Fluoro-3-(trifluoromethyl)-phenyl)-2-oxoethylcarbamoyl)piperidine 95+%
250mg
$ 756.00

Matrix Scientific
1-Boc-4-(2-(4-Fluoro-3-(trifluoromethyl)-phenyl)-2-oxoethylcarbamoyl)piperidine 95+%
1g
$ 1647.00

Crysdot
1-Boc-4-(2-(4-Fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine 95+%
1g
$ 772.00

Chemenu
1-Boc-4-(2-(4-Fluoro-3-(trifluoromethyl)-phenyl)-2-oxoethylcarbamoyl)piperidine 95%
1g
$ 729.00

Apolloscientific
tert-Butyl4-((2-(4-fluoro-3-(trifluoromethyl)phenyl)-2-oxoethyl)carbamoyl)piperidine-1-carboxylate 97%
1g
$ 557.00

American Custom Chemicals Corporation
1-BOC-4-(2-(4-FLUORO-3-(TRIFLUOROMETHYL)PHENYL)-2-OXOETHYLCARBAMOYL)PIPERIDINE 95.00%
5MG
$ 498.06

Alichem
1-Boc-4-(2-(4-Fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine
1g
$ 634.28

AK Scientific
1-Boc-4-(2-(4-Fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine
250mg
$ 1070.00

Total 14 raw suppliers

Chemical Property of 1-Boc-4-(2-(4-Fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine

Chemical Property:

Boiling Point:546.5±50.0 °C(Predicted)
PKA:13?+-.0.20(Predicted)
PSA：75.71000
Density:1.277
LogP:4.11930
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:432.16721990
Heavy Atom Count:30
Complexity:640

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Boc-4-(2-(4-Fluoro-3-(trifluoromethyl)-phenyl)-2-oxoethylcarbamoyl)piperidine 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)N1CCC(CC1)C(=O)NCC(=O)C2=CC(=C(C=C2)F)C(F)(F)F

Technology Process of 1-Boc-4-(2-(4-Fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine

There total 5 articles about 1-Boc-4-(2-(4-Fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine 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: 90.0%

: 1082951-17-4
(2-amino-1-(4-fluoro, 3-trifluoromethyl-phenyl)-ethanone) p-toluenesulfonate

: 84358-13-4,174286-31-8
N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid

: 1082949-99-2
4-[2-oxo-2-(4-fluoro-3-trifluoromethylphenyl)ethylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: With 4-methyl-morpholine; propylphosphonic anhydride; In tetrahydrofuran; ethyl acetate; at 5 - 20 ℃; for 3h; Product distribution / selectivity;

Reference yield: 79.0%

: 1082949-76-5
2-amino-1-(4-fluoro-3-(trifluoromethyl)phenyl)ethanone hydrochloride

: 84358-13-4,174286-31-8
N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid

: 1082949-99-2
4-[2-oxo-2-(4-fluoro-3-trifluoromethylphenyl)ethylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid; With 4-methyl-morpholine; isobutyl chloroformate; In tetrahydrofuran; at -10 - 10 ℃;

2-amino-1-(4-fluoro-3-(trifluoromethyl)phenyl)ethanone hydrochloride; In tetrahydrofuran; at -5 - 20 ℃; for 1.33333h;

Reference yield:

: 537050-14-9
2-bromo-1-(4-fluoro-3-(trifluoromethyl)phenyl)ethan-1-one

: 1082949-99-2
4-[2-oxo-2-(4-fluoro-3-trifluoromethylphenyl)ethylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium azide / tetrahydrofuran; water / 10 h / -2 - 2 °C / Large scale reaction

2.1: triphenylphosphine / tetrahydrofuran / 26 h / 20 °C / Inert atmosphere; Cooling; Large scale reaction

3.1: 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; 1,1'-carbonyldiimidazole / tetrahydrofuran; ethyl acetate / 20 - 25 °C / Inert atmosphere; Large scale reaction

3.2: 16.5 h / 20 - 25 °C

With sodium azide; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triphenylphosphine; 1,1'-carbonyldiimidazole; In tetrahydrofuran; water; ethyl acetate;
DOI:10.1021/op200351g