2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic Acid

Base Information

Chemical Name:2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic Acid
CAS No.:167496-29-9
Molecular Formula:C15H18F3NO4
Molecular Weight:333.3029296
Hs Code.:
DSSTox Substance ID:DTXSID50373574

Synonyms:167496-29-9;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic Acid;N-Boc-4-(trifluoromethyl)-DL-phenylalanine;2-tert-Butoxycarbonylamino-3-(4-trifluoromethyl-phenyl)-propionic acid;2-[(tert-butoxycarbonyl)amino]-3-[4-(trifluoromethyl)phenyl]propanoic acid;Boc-D-4-Trifluoromethylphenylalanine;MFCD00792407;MFCD00797557;2-((tert-Butoxycarbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid;BOC-L-4-TRIFLUOROMETHYLPHE;SCHEMBL1519728;DTXSID50373574;SMVCCWNHCHCWAZ-UHFFFAOYSA-N;BOC-D-4-TRIFLUOROMETHYLPHE;AKOS023763911;AB07089;AB07177;PD196809;SY096755;SY104540;FT-0616930;FT-0642795;A50507;A840300;EN300-12412599;A1-00362;2-((tert-Butoxycarbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoicacid;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic acid;2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-(trifluoromethyl)phenyl]propanoic acid;2-{[(tert-butoxy)carbonyl]amino}-3-[4-(trifluoromethyl)phenyl]propanoic acid

Suppliers and Price of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic 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

Total 5 raw suppliers

Chemical Property of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic Acid

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:333.11879254
Heavy Atom Count:23
Complexity:423

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(CC1=CC=C(C=C1)C(F)(F)F)C(=O)O

Technology Process of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic Acid

There total 4 articles about 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic 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: 67.0%

: 58632-95-4
2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

: 4-(trifluoromethyl)phenylalanine hydrochloride

: 167496-29-9
N-t-BOC-4-(trifluoromethyl)phenylalanine

Guidance literature:: With triethylamine; In 1,4-dioxane; water; for 21h; Ambient temperature;
DOI:10.1021/jm00023a005

Reference yield:

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

: 14091-16-8
4-(trifluoromethyl)-dl-phenylalanine

: 167496-29-9
N-t-BOC-4-(trifluoromethyl)phenylalanine

Guidance literature:: With sodium hydroxide; sodium hydrogencarbonate; In 1,4-dioxane; at 0 - 20 ℃;
DOI:10.1016/0968-0896(96)00185-X

Reference yield:

: 114872-59-2
diethyl 2-acetamido-2-<<4-(trifluoromethyl)phenyl>methyl>malonate

: 167496-29-9
N-t-BOC-4-(trifluoromethyl)phenylalanine

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) aq. NaOH, 2.) glacial acetic acid, 3.) concd. HCl

2: 67 percent / Et₃N / dioxane; H₂O / 21 h / Ambient temperature

With hydrogenchloride; sodium hydroxide; acetic acid; triethylamine; In 1,4-dioxane; water;
DOI:10.1021/jm00023a005