3-Carbamoyl-2-[(2,4-dinitrophenyl)amino]propanoic acid

Base Information

• Chemical Name: 3-Carbamoyl-2-[(2,4-dinitrophenyl)amino]propanoic acid
• CAS No.: 1602-40-0
• Molecular Formula: C10H10 N4 O7
• Molecular Weight: 298.212
• Hs Code.: 2924299090
• European Community (EC) Number: 216-495-3
• NSC Number: 89611
• ChEMBL ID: CHEMBL609714
• Mol file: 1602-40-0.mol

Synonyms:3-carbamoyl-2-[(2,4-dinitrophenyl)amino]propanoic acid;4-amino-2-(2,4-dinitroanilino)-4-oxobutanoic acid;1602-40-0;NSC89611;(2,4-Dinitrophenyl)asparagine;CHEMBL609714;L-Asparagine,4-dinitrophenyl)-;NSC-89611;AKOS000987375;CS-0344781;EN300-717851;SR-01000076273;SR-01000076273-1;Z56753808;(2S)-4-amino-2-(2,4-dinitroanilino)-4-oxobutanoic acid;35821-54-6

Chemical Property of 3-Carbamoyl-2-[(2,4-dinitrophenyl)amino]propanoic acid

Chemical Property:

• Vapor Pressure: 9.07E-20mmHg at 25°C
• Boiling Point: 686.1°Cat760mmHg
• Flash Point: 368.8°C
• PSA: 184.06000
• Density: 1.676g/cm³
• LogP: 2.06320
• Storage Temp.: −20°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 298.05494867
• Heavy Atom Count: 21
• Complexity: 444

Purity/Quality:

N-2-4-DINITROPHENYL-L-ASPARAGINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CC(=O)N)C(=O)O

Technology Process of 3-Carbamoyl-2-[(2,4-dinitrophenyl)amino]propanoic acid

There total 2 articles about 3-Carbamoyl-2-[(2,4-dinitrophenyl)amino]propanoic 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: 100.0%

L-asparagine (70-47-3,28088-48-4,7006-34-0) + 2,4-Dinitrofluorobenzene (70-34-8,65727-75-5) → Nα-(2,4-dinitrophenyl)-L-asparagine (1602-40-0)

Guidance literature:

With sodium hydrogencarbonate; In d₇-N,N-dimethylformamide; water-d2; at 20 ℃; for 3h;

DOI:10.1016/j.tet.2003.12.001

Reference yield:

L-asparagine (70-47-3,28088-48-4,7006-34-0) + 2,4-Dinitrofluorobenzene (70-34-8,65727-75-5) → 2,4-Dinitrophenol (51-28-5) + Nα-(2,4-dinitrophenyl)-L-asparagine (1602-40-0)

Guidance literature:

With sodium hydroxide; phosphate buffer; In water; acetone; at 25 ℃; pH=7.0; Kinetics;

DOI:10.1016/j.tet.2003.12.001

upstream raw materials:

L-asparagine

2,4-Dinitrofluorobenzene