2-(2,4-Dinitroanilino)pentanedioic acid

Base Information

• Chemical Name: 2-(2,4-Dinitroanilino)pentanedioic acid
• CAS No.: 1655-48-7
• Molecular Formula: C11H11 N3 O8
• Molecular Weight: 313.224
• Hs Code.: 2922499990
• European Community (EC) Number: 216-736-2
• NSC Number: 89619
• DSSTox Substance ID: DTXSID001297200
• Nikkaji Number: J809.205B
• ChEMBL ID: CHEMBL609966
• Mol file: 1655-48-7.mol

Synonyms:1655-48-7;DNP-DL-GLUTAMIC ACID;2-(2,4-Dinitroanilino)pentanedioic acid;N-(2,4-Dinitrophenyl)-DL-glutamic acid;2-[(2,4-dinitrophenyl)amino]pentanedioic acid;NSC 89619;N-2,4-Dinitrophenyl-dl-glutamic acid;Glutamic acid, N-(2,4-dinitrophenyl)-;EINECS 216-736-2;N-(2,4-Dinitrophenyl)-L-glutamic acid;2-((2,4-Dinitrophenyl)amino)pentanedioic acid;CHEMBL609966;DTXSID001297200;NSC89619;2,4-Dinitrophenyl-DL-glutamic acid;MFCD00038104;NSC-89619;AKOS002844404;AKOS016142910;C11-H11-N3-O8;2-(2,4-Dinitroanilino)pentanedioic acid #;2-(2,4-dinitrophenylamino)pentanedioic acid;FT-0747567;A11356;A882391;J-010209;2-(4-Chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylicacid

Chemical Property of 2-(2,4-Dinitroanilino)pentanedioic acid

Chemical Property:

• Vapor Pressure: 3.16E-16mmHg at 25°C
• Boiling Point: 619.9°Cat760mmHg
• PKA: 3.36±0.10(Predicted)
• Flash Point: 328.7°C
• PSA: 178.27000
• Density: 1.664g/cm³
• LogP: 2.35230
• Storage Temp.: −20°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 313.05461432
• Heavy Atom Count: 22
• Complexity: 457

Purity/Quality:

99% ^*data from raw suppliers

DNP-DL-GLUTAMIC ACID 95.00% ^*data from reagent 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-])NC(CCC(=O)O)C(=O)O

Technology Process of 2-(2,4-Dinitroanilino)pentanedioic acid

There total 3 articles about 2-(2,4-Dinitroanilino)pentanedioic 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:

Glutamic acid (617-65-2,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6) + 2,4-Dinitrofluorobenzene (70-34-8,65727-75-5) → N-(2,4-dinitrophenyl)-D,L-glutamic acid (1655-48-7)

Guidance literature:

With ethanol; sodium hydrogencarbonate;

DOI:10.1021/ja01634a041

Reference yield:

Glutamic acid (617-65-2,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6) + 1-chloro-2,4-dinitro-benzene (97-00-7) → N-(2,4-dinitrophenyl)-D,L-glutamic acid (1655-48-7)

Guidance literature:

Reference yield:

→ N-(2,4-dinitrophenyl)-D,L-glutamic acid (1655-48-7)

Guidance literature:

Glutaminsaeure, 2.4-Dinitrofluorbenzol;

upstream raw materials:

Glutamic acid

2,4-Dinitrofluorobenzene

1-chloro-2,4-dinitro-benzene

Downstream raw materials:

N-(2,4-dinitrophenyl)-L-glutamic acid

N-(2,4-dinitrophenyl)-D-glutamic acid

Refernces