(S)-2-((tert-Butoxycarbonyl)amino)-5-((2,4-dinitrophenyl)amino)pentanoic acid

Base Information

• Chemical Name: (S)-2-((tert-Butoxycarbonyl)amino)-5-((2,4-dinitrophenyl)amino)pentanoic acid
• CAS No.: 82518-61-4
• Molecular Formula: C₁₆H₂₂N₄O₈
• Molecular Weight: 398.373
• DSSTox Substance ID: DTXSID00443594
• Wikidata: Q72449194
• Mol file: 82518-61-4.mol

Synonyms:82518-61-4;BOC-ORN(DNP)-OH;Nalpha-Boc-Ndelta-2,4-dinitrophenyl-L-ornithine;(S)-2-((tert-Butoxycarbonyl)amino)-5-((2,4-dinitrophenyl)amino)pentanoic acid;(2S)-5-(2,4-dinitroanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;(2S)-2-{[(tert-butoxy)carbonyl]amino}-5-[(2,4-dinitrophenyl)amino]pentanoic acid;N-Boc-N'-(2,4-dinitrophenyl)-L-ornithine;DTXSID00443594;AKOS015901223;AS-67401;N~2~-(tert-Butoxycarbonyl)-N~5~-(2,4-dinitrophenyl)-L-ornithine

Chemical Property of (S)-2-((tert-Butoxycarbonyl)amino)-5-((2,4-dinitrophenyl)amino)pentanoic acid

Chemical Property:

• PSA: 179.30000
• Density: 1.380
• LogP: 4.18330
• Storage Temp.: -15°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 398.14376367
• Heavy Atom Count: 28
• Complexity: 581

Purity/Quality:

98%Min ^*data from raw suppliers

BOC-ORN(DNP)-OH 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Technology Process of (S)-2-((tert-Butoxycarbonyl)amino)-5-((2,4-dinitrophenyl)amino)pentanoic acid

There total 1 articles about (S)-2-((tert-Butoxycarbonyl)amino)-5-((2,4-dinitrophenyl)amino)pentanoic 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:

2,4-Dinitrofluorobenzene (70-34-8,65727-75-5) + N2-(tert-butoxycarbonyl)-L-ornithine (21887-64-9) → Nδ-DNP-Nα-t-butoxycarbonyl-L-ornithine (82518-61-4)

Guidance literature:

With sodium hydroxide; In ethanol; for 24h; Heating;

DOI:10.1021/jm980073h

Reference yield:

4-nitro-aniline (100-01-6,104810-17-5) + Nδ-DNP-Nα-t-butoxycarbonyl-L-ornithine (82518-61-4) → Nδ-DNP-Nα-t-butoxycarbonyl-L-ornithine p-nitroanilide

Guidance literature:

With dicyclohexyl-carbodiimide; In tetrahydrofuran;

DOI:10.1246/bcsj.55.1327

Reference yield:

Nδ-DNP-Nα-t-butoxycarbonyl-L-ornithine (82518-61-4) → Nδ-(2.4-dinitro-phenyl)-L-ornithine ; hydrochloride (64821-45-0)

Guidance literature:

With hydrogenchloride; acetic acid; for 1h; Yield given;

DOI:10.1021/jm980073h

upstream raw materials:

2,4-Dinitrofluorobenzene

N₂-(tert-butoxycarbonyl)-L-ornithine

Downstream raw materials:

N^δ-(2.4-dinitro-phenyl)-L-ornithine

N^δ-(2.4-dinitro-phenyl)-L-ornithine ; hydrochloride

N^δ-DNP-N^α-benzoyl-L-ornithine

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