tert-Butyl (1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate

Base Information

Chemical Name:tert-Butyl (1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate
CAS No.:126536-02-5
Molecular Formula:C8H14F3NO3
Molecular Weight:229.2
Hs Code.:
DSSTox Substance ID:DTXSID00559568
Mol file:126536-02-5.mol

Synonyms:126536-02-5;tert-Butyl (1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate;tert-butyl N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate;TERT-BUTYL [2,2,2-TRIFLUORO-1-(HYDROXYMETHYL)ETHYL]CARBAMATE;SCHEMBL1692753;DTXSID00559568;MFCD10697681;AB60230;AB77361;AB77364;AT24681;CS-0127843;EN300-129436;2-BOC-AMINO-3,3,3-TRIFLUOROPROPAN-1-OL;1-(Boc-amino)-2,2,2-trifluoro-1-(hydroxymethyl)ethane;t-Butyl [2,2,2-trifluoro-1-(hydroxymethyl)ethyl]carbamate;rac-tert-butyl (1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate;TERT-BUTYL 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YLCARBAMATE;tert-butyl N-[(1S)-2,2,2-trifluoro-1-(hydroxymethyl)ethyl]carbamate

Suppliers and Price of tert-Butyl (1,1,1-trifluoro-3-hydroxypropan-2-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

Total 4 raw suppliers

Chemical Property of tert-Butyl (1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate

Chemical Property:

Melting Point:87 °C
Boiling Point:291.4±40.0 °C(Predicted)
PKA:10.36±0.46(Predicted)
PSA：62.05000
Density:1.224±0.06 g/cm3(Predicted)
LogP:1.63870
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:229.09257779
Heavy Atom Count:15
Complexity:222

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC(CO)C(F)(F)F

Technology Process of tert-Butyl (1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate

There total 8 articles about tert-Butyl (1,1,1-trifluoro-3-hydroxypropan-2-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: 93.0%

: 1039356-94-9,1262414-99-2
methyl 2-(tert-butoxycarbonylamino)-3,3,3-trifluoropropanoate

: 126536-02-5,1393524-00-9
(2,2,2-trifluoro-1-hydroxymethylethyl)carbamic acid tert-butyl ester

Guidance literature:: With lithium borohydride; In tetrahydrofuran; at 20 ℃; for 0.5h;
DOI:10.1016/j.bmc.2020.115818

Reference yield: 64.0%

: 126535-90-8
ethyl 2-[(tert-butoxycarbonyl)imino]-3,3,3-trifluoropropanoate

: 126536-02-5,1393524-00-9
(2,2,2-trifluoro-1-hydroxymethylethyl)carbamic acid tert-butyl ester

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 16h; Inert atmosphere;

Reference yield:

: 188030-43-5
2-{[(tert-butoxy)carbonyl]amino}-3,3,3-trifluoropropanoic acid

: 126536-02-5,1393524-00-9
(2,2,2-trifluoro-1-hydroxymethylethyl)carbamic acid tert-butyl ester

Guidance literature:: 2-{[(tert-butoxy)carbonyl]amino}-3,3,3-trifluoropropanoic acid; With 4-methyl-morpholine; chloroformic acid ethyl ester; In tetrahydrofuran; at -10 ℃; for 1h;

With sodium tetrahydroborate; In tetrahydrofuran; at -10 - 0 ℃; for 1h;