Dinitrophenyl-lysine

Base Information

• Chemical Name: Dinitrophenyl-lysine
• CAS No.: 1094-76-4
• Molecular Formula: C12H16 N4 O6
• Molecular Weight: 312.282
• Hs Code.: 2922499990
• UNII: S6TD66F98C
• DSSTox Substance ID: DTXSID10911153
• Nikkaji Number: J215.922H
• Wikidata: Q27123949
• Metabolomics Workbench ID: 58533
• ChEMBL ID: CHEMBL2028905
• Mol file: 1094-76-4.mol

Synonyms:dinitrophenyl-lysine;epsilon-2,4-dinitrophenol lysine;epsilon-dinitrophenylated-lysine;epsilon-dinitrophenyllysine;epsilon-dinitrophenyllysine hydrochloride, (L-Lys)-isomer;epsilon-dinitrophenyllysine monohydrochloride, (L-Lys)-isomer;epsilon-DNP-lysine

Chemical Property of Dinitrophenyl-lysine

Chemical Property:

• Vapor Pressure: 6.6E-14mmHg at 25°C
• Boiling Point: 571.6°Cat760mmHg
• Flash Point: 299.5°C
• PSA: 166.99000
• Density: 1.46g/cm³
• LogP: 3.31680
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 312.10698424
• Heavy Atom Count: 22
• Complexity: 407

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCCC(C(=O)O)N
• Isomeric SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCC[C@@H](C(=O)O)N

Technology Process of Dinitrophenyl-lysine

There total 36 articles about Dinitrophenyl-lysine 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: 95.0%

6-((2,4-dinitrophenyl)amino)-(2S)-2-(((1,1-dimethylmethoxy)carbonyl)amino)hexanoic acid → N6-(2,4-dinitro-phenyl)-L-lysine (1094-76-4)

Guidance literature:

With hydrogenchloride; water; In 1,4-dioxane; at 20 ℃; for 3h;

Reference yield:

C21H24N4O10S (1202639-03-9) → PVS (5535-48-8) + N6-(2,4-dinitro-phenyl)-L-lysine (1094-76-4)

Guidance literature:

With water; acetic acid; In methanol; at 37 ℃; pH=7.4; Kinetics;

Reference yield:

C22H23N5O8 (1202639-13-1) → cinnamonitrile (4360-47-8) + N6-(2,4-dinitro-phenyl)-L-lysine (1094-76-4)

Guidance literature:

With water; acetic acid; In methanol; at 37 ℃; pH=8.3; Kinetics;

upstream raw materials:

N²-acetyl-N⁶-(2,4-dinitro-phenyl)-L-lysine

2,4-Dinitrofluorobenzene

Boc-Lys-OH

N-Ac-L-Lys-OH

Downstream raw materials:

C₄₆H₆₃N₅O₁₇