2-(2,4-Dinitroanilino)-3-methylbutanoic acid

Base Information

• Chemical Name: 2-(2,4-Dinitroanilino)-3-methylbutanoic acid
• CAS No.: 10547-33-8
• Molecular Formula: C11H13N3O6
• Molecular Weight: 283.241
• NSC Number: 89621
• DSSTox Substance ID: DTXSID00874203
• Nikkaji Number: J809.202H
• ChEMBL ID: CHEMBL609716
• Mol file: 10547-33-8.mol

Synonyms:n-(2,4-dinitrophenyl)valine;2-(2,4-Dinitroanilino)-3-methylbutanoic acid;Dnp-L-valine;Dnp-Val-OH;C11H13N3O6;DL-Valine, N-(2,4-dinitrophenyl)-;NSC89621;10547-33-8;(2,4-Dinitrophenyl)valine;Oprea1_227013;2-[(2,4-dinitrophenyl)amino]-3-methylbutanoic acid;CHEMBL609716;SCHEMBL5137639;DTXSID00874203;NSC-89621;AKOS002846220;AKOS016142935;CS-0273368;FT-0701656;EN300-717736;2-(2,4-Dinitrophenylamino)-3-methylbutanoic acid;J-010550

Chemical Property of 2-(2,4-Dinitroanilino)-3-methylbutanoic acid

Chemical Property:

• PSA: 140.97000
• LogP: 3.14350
• 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:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 2-(2,4-Dinitroanilino)-3-methylbutanoic acid

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

D,L-valine (516-06-3,25609-85-2,7004-03-7,921-10-8) + 1-chloro-2,4-dinitro-benzene (97-00-7) → N-(2,4-dinitrophenyl)-D,L-valine (10547-33-8)

Guidance literature:

With ethanol; sodium hydrogencarbonate;

Reference yield:

→ N-(2,4-dinitrophenyl)-D,L-valine (10547-33-8)

Guidance literature:

Asymmetr.Synthese (HCN an Schiff-Base);

DOI:10.1021/jo00944a020

Reference yield:

N-(2,4-dinitrophenyl)-D,L-valine (10547-33-8) → N-(2,4-dinitrophenyl)-D-valine (37696-35-8) + N(2,4-dinitrophenyl)-(S)-valine (1694-97-9)

Guidance literature:

DOI:10.1021/ac950698c

upstream raw materials:

D,L-valine

1-chloro-2,4-dinitro-benzene

Downstream raw materials:

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

N(2,4-dinitrophenyl)-(S)-valine