2-(Tert-butoxycarbonylamino)-4-(trifluoromethyl)benzoic acid

Base Information

Chemical Name:2-(Tert-butoxycarbonylamino)-4-(trifluoromethyl)benzoic acid
CAS No.:141940-28-5
Molecular Formula:C13H14F3NO4
Molecular Weight:305.25000
Hs Code.:
DSSTox Substance ID:DTXSID001151228
Mol file:141940-28-5.mol

Synonyms:141940-28-5;2-(TERT-BUTOXYCARBONYLAMINO)-4-(TRIFLUOROMETHYL)BENZOIC ACID;SCHEMBL1452551;LAXIZJYUJKOGPP-UHFFFAOYSA-N;DTXSID001151228;AKOS017561704;AB64662;EN300-182144;2-((tert-Butoxycarbonyl)amino)-4-(trifluoromethyl)benzoic acid;2-{[(tert-butoxy)carbonyl]amino}-4-(trifluoromethyl)benzoic acid;2-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-(trifluoromethyl)benzoic acid

Suppliers and Price of 2-(Tert-butoxycarbonylamino)-4-(trifluoromethyl)benzoic acid

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

Labseeker
2-(tert-butoxycarbonylamino)-4-(trifluoromethyl)benzoicacid 95
10g
$ 2658.00

Labseeker
2-(tert-butoxycarbonylamino)-4-(trifluoromethyl)benzoicacid 95
1g
$ 1217.00

American Custom Chemicals Corporation
2-(TERT-BUTOXYCARBONYLAMINO)-4-(TRIFLUOROMETHYL)BENZOIC ACID 95.00%
5MG
$ 499.46

Total 1 raw suppliers

Chemical Property of 2-(Tert-butoxycarbonylamino)-4-(trifluoromethyl)benzoic acid

Chemical Property:

PSA：75.63000
LogP:3.82360
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:305.08749241
Heavy Atom Count:21
Complexity:403

Purity/Quality:: 2-(tert-butoxycarbonylamino)-4-(trifluoromethyl)benzoicacid 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)NC1=C(C=CC(=C1)C(F)(F)F)C(=O)O

Technology Process of 2-(Tert-butoxycarbonylamino)-4-(trifluoromethyl)benzoic acid

There total 4 articles about 2-(Tert-butoxycarbonylamino)-4-(trifluoromethyl)benzoic acid 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:

: 24424-99-5
di-tert-butyl dicarbonate

: 402-13-1
2-amino-4-trifluoromethylbenzoic acid

: 141940-28-5
2-tert-butoxycarbonylamino-4-trifluoromethyl-benzoic acid

Guidance literature:: With dmap; triethylamine; In acetonitrile; at 20 ℃; for 2h;
DOI:10.1016/j.tetlet.2013.10.034

Reference yield:

: 124-38-9,18923-20-1
carbon dioxide

: 109134-07-8
t-butyl<3-(trifluoromethyl)phenyl>-carbamate

: 141940-28-5
2-tert-butoxycarbonylamino-4-trifluoromethyl-benzoic acid

Guidance literature:: t-butyl<3-(trifluoromethyl)phenyl>-carbamate; With sec.-butyllithium; In tetrahydrofuran; hexane; at -40 ℃; for 2.5h;

carbon dioxide; In tetrahydrofuran; hexane; at -40 - 0 ℃;
DOI:10.1021/jm031044w

Reference yield:

: 24424-99-5
di-tert-butyl dicarbonate

: 141940-28-5
2-tert-butoxycarbonylamino-4-trifluoromethyl-benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: tetrahydrofuran / 18 h / Heating

2.1: sec-BuLi / tetrahydrofuran; hexane / 2.5 h / -40 °C

2.2: tetrahydrofuran; hexane / -40 - 0 °C

With sec.-butyllithium; In tetrahydrofuran; hexane;
DOI:10.1021/jm031044w