N-(2,4-Dinitrophenyl)-L-valine

Base Information

• Chemical Name: N-(2,4-Dinitrophenyl)-L-valine
• CAS No.: 1694-97-9
• Molecular Formula: C11H13 N3 O6
• Molecular Weight: 283.241
• Hs Code.: 2922499990
• European Community (EC) Number: 216-909-2
• Nikkaji Number: J195.345A
• Wikidata: Q76009711
• Mol file: 1694-97-9.mol

Synonyms:N-(2,4-Dinitrophenyl)-L-valine;1694-97-9;N-Dnp-L-valine;N-Dinitrophenyl-l-valine;(2S)-2-(2,4-dinitroanilino)-3-methylbutanoic acid;Dnp-Val-OH;EINECS 216-909-2;(2S)-2-[(2,4-dinitrophenyl)amino]-3-methylbutanoic acid;Dnp-L-valine;C11H13N3O6;DL-Valine, N-(2,4-dinitrophenyl)-;Valine, N-(2,4-dinitrophenyl)-;L-Valine, N-(2,4-dinitrophenyl)-;N-2,4-Dnp-L-valine;N-(2,4-Dinitrophenyl)-valin;SCHEMBL11197355;CHEBI:191139;BAA69497;MFCD00038096;NSC 89621;AKOS015833292;HY-W142125;CS-0201908;D1043;EN300-302740;T70406;2-(2,4-Dinitroanilino)-3-methylbutanoic acid #;(S)-2-(2,4-dinitrophenylamino)-3-methylbutanoic acid;(S)-2-((2,4-Dinitrophenyl)amino)-3-methylbutanoic acid

Chemical Property of N-(2,4-Dinitrophenyl)-L-valine

Chemical Property:

• Vapor Pressure: 5.54E-11mmHg at 25°C
• Melting Point: 131 °C
• Refractive Index: -26 ° (C=1, AcOH)
• Boiling Point: 504.1°Cat760mmHg
• PKA: 3.56±0.10(Predicted)
• Flash Point: 258.7°C
• PSA: 140.97000
• Density: 1.46g/cm³
• LogP: 3.14350
• Storage Temp.: −20°C
• Solubility.: almost transparency in Methanol
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 283.08043514
• Heavy Atom Count: 20
• Complexity: 389

Purity/Quality:

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

N-(2,4-Dinitrophenyl)-L-valine ^*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: CC(C)C(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
• Isomeric SMILES: CC(C)[C@@H](C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of N-(2,4-Dinitrophenyl)-L-valine

There total 5 articles about N-(2,4-Dinitrophenyl)-L-valine 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: 92.0%

L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) + 2,4-Dinitrofluorobenzene (70-34-8,65727-75-5) → N(2,4-dinitrophenyl)-(S)-valine (1694-97-9)

Guidance literature:

With sodium hydrogencarbonate; In water; at 80 ℃; for 0.00972222h; microwave irradiation;

DOI:10.1016/S0040-4020(00)00739-0

Reference yield: 58.0%

L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) + 1-chloro-2,4-dinitro-benzene (97-00-7) → N(2,4-dinitrophenyl)-(S)-valine (1694-97-9)

Guidance literature:

With sodium hydrogencarbonate; In water; at 95 ℃; for 0.133333h; microwave irradiation;

DOI:10.1016/S0040-4020(00)00739-0

Reference yield: 53.0%

2,4-dinitrobromobenzene (584-48-5) + L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) → N(2,4-dinitrophenyl)-(S)-valine (1694-97-9)

Guidance literature:

With sodium hydrogencarbonate; In water; at 95 ℃; for 0.216667h; microwave irradiation;

DOI:10.1016/S0040-4020(00)00739-0

upstream raw materials:

L-valine

2,4-Dinitrofluorobenzene

N-(2,4-dinitrophenyl)-D,L-valine

2,4-dinitrobromobenzene

Refernces

• 1、 Messina,Girelli,Flieger,Sinibaldi,Sedmera,Cvak. "Direct resolution of optically active isomers on chiral packings containing ergoline skeletons. 5. Enantioseparation of amino acid derivatives". . p. 1191 - 1196. Retrieved 2007/10/03.
• 2、 Shoji,Shibata,Sankawa,Taguchi,Shibanuma. "Metabolic products of fungi. XXIV. The structure of erythroskyrine, a nitrogen-containing coloring matter of Penicillium islandicum Sopp.". . p. 1240 - 1246. Retrieved 2007/10/05.