N-Succinimidyl 6-(2,4-Dinitroanilino)hexanoate

Base Information

• Chemical Name: N-Succinimidyl 6-(2,4-Dinitroanilino)hexanoate
• CAS No.: 82321-04-8
• Molecular Formula: C16H18 N4 O8
• Molecular Weight: 394.341
• Hs Code.: 2925190090
• European Community (EC) Number: 679-788-9
• DSSTox Substance ID: DTXSID00584259
• Nikkaji Number: J534.065I
• Wikidata: Q82475890
• Mol file: 82321-04-8.mol

Synonyms:82321-04-8;DNP-X, SE;N-Succinimidyl 6-(2,4-Dinitroanilino)hexanoate;(2,5-dioxopyrrolidin-1-yl) 6-(2,4-dinitroanilino)hexanoate;2,5-Dioxopyrrolidin-1-yl 6-((2,4-dinitrophenyl)amino)hexanoate;6-(2,4-Dinitrophenyl)aminohexanoic acid, succinimidyl ester;6-(2,4-dinitrophenyl)aminohexanoic acid succinimidyl ester;2,5-DIOXOPYRROLIDIN-1-YL 6-[(2,4-DINITROPHENYL)AMINO]HEXANOATE;N-Succinimidyl N-(2,4-dinitrophenyl)-6-aminocaproate;SCHEMBL1700737;DTXSID00584259;IYBNUJCDIAGXNX-UHFFFAOYSA-N;HY-D1050;N-(2,4-Dinitrophenyl)-6-aminohexanoic acid N-succinimidyl ester;AKOS015894369;AKOS040744069;AS-69060;PD167240;CS-0100568;D2255;F12374;1-{[6-(2,4-Dinitroanilino)hexanoyl]oxy}pyrrolidine-2,5-dione;2,5-Dioxopyrrolidin-1-yl6-((2,4-dinitrophenyl)amino)hexanoate;N-Succinimidyl N-(2,4-dinitrophenyl)-6-aminocaproate, >=95% (HPLC)

Chemical Property of N-Succinimidyl 6-(2,4-Dinitroanilino)hexanoate

Chemical Property:

• Vapor Pressure: 5.58E-14mmHg at 25°C
• Melting Point: 152 °C
• Refractive Index: 1.605
• Boiling Point: 591.8°C at 760 mmHg
• Flash Point: 311.7°C
• PSA: 167.35000
• Density: 1.46g/cm³
• LogP: 3.13980
• Storage Temp.: 0-10°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 394.11246355
• Heavy Atom Count: 28
• Complexity: 613

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Succinimidyl 6-(2,4-Dinitroanilino)hexanoate >97.0%(N) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N(C1=O)OC(=O)CCCCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• Uses: N-(2,4-Dinitrophenyl)-6-aminocaproic acid N-succinimidyl ester is an amine-reactive DNP-X succinimidyl ester that may be used to create bioconjugates that may be detected with anti-dinitrophenyl (anti-DNP) antibodies.

Technology Process of N-Succinimidyl 6-(2,4-Dinitroanilino)hexanoate

There total 1 articles about N-Succinimidyl 6-(2,4-Dinitroanilino)hexanoate 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:

1-hydroxy-pyrrolidine-2,5-dione (6066-82-6) + N-(2,4-dinitrophenyl)-ε-amino-n-caproic acid (10466-72-5) → 6-(2,4-dinitrophenylamino)hexanoic acid N-hydroxysuccinimide ester (82321-04-8)

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1021/ol070588f

Reference yield: 60.0%

Propargylamine (2450-71-7) + 6-(2,4-dinitrophenylamino)hexanoic acid N-hydroxysuccinimide ester (82321-04-8) → C15H18N4O5

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 24h;

DOI:10.1021/ol070588f

Reference yield:

N-(tert-butoxycarbonyl)-L-serine allyl ester hydrochloride + 6-(2,4-dinitrophenylamino)hexanoic acid N-hydroxysuccinimide ester (82321-04-8) → N-(6-(2,4-dinitrophenyl)amino)hexanoyl-L-serine allyl ester (1346434-12-5)

Guidance literature:

N-(tert-butoxycarbonyl)-L-serine allyl ester hydrochloride; 6-(2,4-dinitrophenylamino)hexanoic acid N-hydroxysuccinimide ester; With triethylamine; In tetrahydrofuran; at 20 ℃; for 0.5h;

With sodium hydrogencarbonate; In water; ethyl acetate;

upstream raw materials:

1-hydroxy-pyrrolidine-2,5-dione

N-(2,4-dinitrophenyl)-ε-amino-n-caproic acid

Downstream raw materials:

N-(3-{(3β)-cholest-5-en-3-yl[(2-nitrophenyl)sulfonyl]amino}propyl)-6-[(2,4-dinitrophenyl)amino]hexanamide

N-{3-[(3-{(3β)-cholest-5-en-3-yl[(2-nitrophenyl)sulfonyl]amino}propyl)amino]-3-oxopropyl}-6-[(2,4-dinitrophenyl)amino]hexanamide

N-[3-({3-[(3-{(3β)-cholest-5-en-3-yl[(2-nitrophenyl)sulfonyl]amino}propyl)amino]-3-oxopropyl}amino)-3-oxopropyl]-6-[(2,4-dinitrophenyl)amino]hexanamide

N-(6-(2,4-dinitrophenyl)amino)hexanoyl-L-serine allyl ester

Refernces