N-(4-Nitrophenoxycarbonyl)valine

Base Information

Chemical Name:N-(4-Nitrophenoxycarbonyl)valine
CAS No.:188789-98-2
Molecular Formula:C12H14N2O6
Molecular Weight:282.253
Hs Code.:
DSSTox Substance ID:DTXSID00707123
Nikkaji Number:J1.940.167G
Wikidata:Q82640784

Synonyms:N-(4-Nitrophenoxycarbonyl)valine;188789-98-2;SCHEMBL2938526;DTXSID00707123;N-[(4-Nitrophenoxy)carbonyl]-L-valine

Suppliers and Price of N-(4-Nitrophenoxycarbonyl)valine

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 3 raw suppliers

Chemical Property of N-(4-Nitrophenoxycarbonyl)valine

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:282.08518617
Heavy Atom Count:20
Complexity:371

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(C(=O)O)NC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
Isomeric SMILES:CC(C)[C@@H](C(=O)O)NC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of N-(4-Nitrophenoxycarbonyl)valine

There total 2 articles about N-(4-Nitrophenoxycarbonyl)valine 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:

: 7693-46-1
4-Nitrophenyl chloroformate

: 188789-98-2
(S)-3-Methyl-2-(4-nitro-phenoxycarbonylamino)-butyric acid

Guidance literature:: Multi-step reaction with 2 steps

1: 100 percent / triethylamine / tetrahydrofuran / 0.5 h / 0 °C

2: tetrahydrofuran / 50 °C

With triethylamine; In tetrahydrofuran;
DOI:10.1246/cl.2003.830

Reference yield:

: 72-18-4,25609-85-2,7004-03-7,921-10-8
L-valine

: 371783-15-2
N-(4-nitrophenoxycarbonyloxy)succinimide

: 188789-98-2
(S)-3-Methyl-2-(4-nitro-phenoxycarbonylamino)-butyric acid

Guidance literature:: In tetrahydrofuran; at 50 ℃;
DOI:10.1246/cl.2003.830

Reference yield: 88.0%

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

: 64-04-0
phenethylamine

: 188789-98-2
(S)-3-Methyl-2-(4-nitro-phenoxycarbonylamino)-butyric acid

: tert-butyl (S)-(3-methyl-1-oxo-1-(phenethylamino)butan-2-yl)carbamate

Guidance literature:: phenethylamine; (S)-3-Methyl-2-(4-nitro-phenoxycarbonylamino)-butyric acid; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

di-tert-butyl dicarbonate; In N,N-dimethyl-formamide; for 1.5h;
DOI:10.1246/cl.2003.830