benzyl (2S)-2-amino-3,3-dimethylbutanoate

Base Information

Chemical Name:benzyl (2S)-2-amino-3,3-dimethylbutanoate
CAS No.:154092-64-5
Molecular Formula:C13H19NO2
Molecular Weight:221.299
Hs Code.:
DSSTox Substance ID:DTXSID301289335
Nikkaji Number:J1.012.998B
Mol file:154092-64-5.mol

Synonyms:benzyl (2S)-2-amino-3,3-dimethylbutanoate;154092-64-5;tert-leucine benzyl ester;SCHEMBL5488741;CFEYNMWFKQPQMR-LLVKDONJSA-N;DTXSID301289335;3-Methyl-L-valine phenylmethyl ester;AKOS010531613;benzyl(2S)-2-amino-3,3-dimethylbutanoate;(S)-Benzyl 2-amino-3,3-dimethylbutanoate;CS-0371397;EN300-122527;(2S)-2-Amino-3,3-dimethylbutyric acid benzyl ester

Suppliers and Price of benzyl (2S)-2-amino-3,3-dimethylbutanoate

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 2 raw suppliers

Chemical Property of benzyl (2S)-2-amino-3,3-dimethylbutanoate

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:221.141578849
Heavy Atom Count:16
Complexity:227

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C(C(=O)OCC1=CC=CC=C1)N
Isomeric SMILES:CC(C)(C)[C@@H](C(=O)OCC1=CC=CC=C1)N

Technology Process of benzyl (2S)-2-amino-3,3-dimethylbutanoate

There total 3 articles about benzyl (2S)-2-amino-3,3-dimethylbutanoate 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:

: 154092-61-2
(S)-benzyl 2-(tert-butoxycarbonylamino)-3,3-dimethylbutanoic acid

: 154092-64-5
tert-leucine benzyl ester

Guidance literature:: With trifluoroacetic acid; In dichloromethane;
DOI:10.1016/S0040-4039(02)00728-1

Reference yield:

: 62965-35-9
N-tert-butyloxycarbonyl-L-tert-leucine

: 154092-64-5
tert-leucine benzyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: Boc-ON; Et₃N / dioxane

1.2: N-ethyl-N-(3-dimethylaminopropyl)carbodiimide; 4-dimethylaminopyridine / CH₂Cl₂ / 0 °C

2.1: CF₃CO₂H / CH₂Cl₂

With 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile; triethylamine; trifluoroacetic acid; In 1,4-dioxane; dichloromethane;
DOI:10.1016/S0040-4039(02)00728-1

Reference yield:

: 100-51-6,185532-71-2
benzyl alcohol

: 154092-64-5
tert-leucine benzyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: Boc-ON; Et₃N / dioxane

1.2: N-ethyl-N-(3-dimethylaminopropyl)carbodiimide; 4-dimethylaminopyridine / CH₂Cl₂ / 0 °C

2.1: CF₃CO₂H / CH₂Cl₂

With 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile; triethylamine; trifluoroacetic acid; In 1,4-dioxane; dichloromethane;
DOI:10.1016/S0040-4039(02)00728-1