tert-Butyl [3-(trifluoromethyl)pyrrolidin-3-yl]carbamate

Base Information

Chemical Name:tert-Butyl [3-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CAS No.:186203-13-4
Molecular Formula:C10H17 F3 N2 O2
Molecular Weight:254.25
Hs Code.:
European Community (EC) Number:803-167-5
DSSTox Substance ID:DTXSID00599247
Mol file:186203-13-4.mol

Synonyms:186203-13-4;tert-butyl N-[3-(trifluoromethyl)pyrrolidin-3-yl]carbamate;TERT-BUTYL[3-(TRIFLUOROMETHYLPYRROLIDINE-3-YL)]CARBAMATE;tert-Butyl [3-(trifluoromethyl)pyrrolidin-3-yl]carbamate;tert-Butyl (3-(trifluoromethyl)pyrrolidin-3-yl)carbamate;SCHEMBL1035022;DTXSID00599247;tert-Butyl [3-(trifluoromethylpyrrolidine-3-yl)]carbamate;MFCD09258801;PS-20590;DB-144871;3-(Boc-amino)-3-(trifluoromethyl)pyrrolidine;F86295;tert-butyl 3-(trifluoromethyl)pyrrolidin-3-ylcarbamate;3-(tert-Butyloxycarbonyl)amino-3-trifluoromethylpyrrolidine;tert-butylN-[3-(trifluoromethyl)pyrrolidin-3-yl]carbamate;tert-Butyl[3-(trifluoromethylpyrrolidine-3-yl)]carbamate, AldrichCPR

Suppliers and Price of tert-Butyl [3-(trifluoromethyl)pyrrolidin-3-yl]carbamate

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

American Custom Chemicals Corporation
TERT-BUTYL-[3-(TRIFLUOROMETHYLPYRROLIDINE-3-YL)]CARBAMATE 95.00%
5MG
$ 496.09

Total 4 raw suppliers

Chemical Property of tert-Butyl [3-(trifluoromethyl)pyrrolidin-3-yl]carbamate

Chemical Property:

PSA：50.36000
LogP:2.52520
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:254.12421228
Heavy Atom Count:17
Complexity:299

Purity/Quality:

97% ^*data from raw suppliers

TERT-BUTYL-[3-(TRIFLUOROMETHYLPYRROLIDINE-3-YL)]CARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC1(CCNC1)C(F)(F)F

Technology Process of tert-Butyl [3-(trifluoromethyl)pyrrolidin-3-yl]carbamate

There total 2 articles about tert-Butyl [3-(trifluoromethyl)pyrrolidin-3-yl]carbamate 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:

: 186203-11-2
(1-Benzyl-3-trifluoromethyl-pyrrolidin-3-yl)-carbamic acid tert-butyl ester

: 186203-13-4
(+/-)-3-(tert-butyloxycarbonyl)amino-3-trifluoromethylpyrrolidine

Guidance literature:: With hydrogen; palladium on activated charcoal; In methanol;
DOI:10.1016/S0960-894X(98)00514-9

Reference yield:

: 186203-08-7
1-benzyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

: 186203-13-4
(+/-)-3-(tert-butyloxycarbonyl)amino-3-trifluoromethylpyrrolidine

Guidance literature:: Multi-step reaction with 2 steps

1: DPPA, Et₃N

2: H₂ / Pd/C / methanol

With diphenyl-phosphinic acid; hydrogen; triethylamine; palladium on activated charcoal; In methanol;
DOI:10.1016/S0960-894X(98)00514-9

Reference yield:

: 6-chloro-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide

: 186203-13-4
(+/-)-3-(tert-butyloxycarbonyl)amino-3-trifluoromethylpyrrolidine

: (R)-6-(3-amino-3-(trifluoromethyl)pyrrolidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide

Guidance literature:: 6-chloro-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide; (+/-)-3-(tert-butyloxycarbonyl)amino-3-trifluoromethylpyrrolidine; With N-ethyl-N,N-diisopropylamine; In isopropyl alcohol; at 140 ℃; for 22h;

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;