2,4,5-Trichlorophenyl N-(tert-butoxycarbonyl)-L-alaninate

Base Information

Chemical Name:2,4,5-Trichlorophenyl N-(tert-butoxycarbonyl)-L-alaninate
CAS No.:7586-94-9
Molecular Formula:C14H16Cl3NO4
Molecular Weight:368.64
Hs Code.:
DSSTox Substance ID:DTXSID60516612
Wikidata:Q82378103
Mol file:7586-94-9.mol

Synonyms:7586-94-9;2,4,5-Trichlorophenyl N-(tert-butoxycarbonyl)-L-alaninate;(2,4,5-trichlorophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;SCHEMBL10979767;DTXSID60516612;GQSWVXZEPUAZON-ZETCQYMHSA-N;n-tert-butoxycarbonyl-l-alanine-2,4,5-trichlorophenyl ester;N-t-butoxycarbonyl-L-alanine 2,4,5-trichlorophenyl ester

Suppliers and Price of 2,4,5-Trichlorophenyl N-(tert-butoxycarbonyl)-L-alaninate

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
N-TERT-BUTOXYCARBONYL-L-ALANINE-2,4,5-TRICHLOROPHENYL ESTER 95.00%
5MG
$ 502.57

Total 4 raw suppliers

Chemical Property of 2,4,5-Trichlorophenyl N-(tert-butoxycarbonyl)-L-alaninate

Chemical Property:

PSA：68.12000
LogP:4.66980
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:367.014491
Heavy Atom Count:22
Complexity:413

Purity/Quality:: N-TERT-BUTOXYCARBONYL-L-ALANINE-2,4,5-TRICHLOROPHENYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C(=O)OC1=CC(=C(C=C1Cl)Cl)Cl)NC(=O)OC(C)(C)C
Isomeric SMILES:C[C@@H](C(=O)OC1=CC(=C(C=C1Cl)Cl)Cl)NC(=O)OC(C)(C)C

Technology Process of 2,4,5-Trichlorophenyl N-(tert-butoxycarbonyl)-L-alaninate

There total 4 articles about 2,4,5-Trichlorophenyl N-(tert-butoxycarbonyl)-L-alaninate 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: 79.0%

: 15761-38-3
L-N-Boc-Ala

: 108034-67-9
1,2,2,2-tetrachloroethyl 2,4,5-trichlorophenyl carbonate

: 7586-94-9
Boc-Ala-OTcp

Guidance literature:: With 4-methyl-morpholine; In tetrahydrofuran; acetonitrile; Ambient temperature;
DOI:10.1021/jo00388a005

Reference yield: 70.0%

: 3744-87-4,7764-95-6,15761-38-3
Boc-D-Ala

: 95-95-4
2,4,5-trichlorophenol

: 7586-94-9,63276-24-4
Boc-D-Ala-OTcp

Guidance literature:: With dicyclohexyl-carbodiimide; In ethyl acetate;

Reference yield:

: 95-95-4
2,4,5-trichlorophenol

: 7586-94-9
Boc-Ala-OTcp

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / pyridine / CH₂Cl₂ / 3 h / Ambient temperature

2: 79 percent / N-methylmorpholine / tetrahydrofuran; acetonitrile / Ambient temperature

With 4-methyl-morpholine; pyridine; In tetrahydrofuran; dichloromethane; acetonitrile;
DOI:10.1021/jo00388a005