alpha,4-Dinitrophenylalanine

Base Information

• Chemical Name: alpha,4-Dinitrophenylalanine
• CAS No.: 49607-21-8
• Molecular Formula: C9H9 N3 O6
• Molecular Weight: 255.187
• DSSTox Substance ID: DTXSID00964299
• Mol file: 49607-21-8.mol

Synonyms:alpha,4-Dinitrophenylalanine;DTXSID00964299

Chemical Property of alpha,4-Dinitrophenylalanine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 453.8°Cat760mmHg
• Flash Point: 228.3°C
• PSA: 154.96000
• Density: 1.577g/cm³
• LogP: 2.20410
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 255.04913502
• Heavy Atom Count: 18
• Complexity: 354

Purity/Quality:

99%+, ^*data from raw suppliers

L-2,4-Dinitrophenylalanine ≥ 99% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)(N)[N+](=O)[O-])[N+](=O)[O-]
• Isomeric SMILES: C1=CC(=CC=C1C[C@@](C(=O)O)(N)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of alpha,4-Dinitrophenylalanine

There total 3 articles about alpha,4-Dinitrophenylalanine 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: 87.8%

4-nitro-3-phenyl-L-alanine (949-99-5) → (2S)-2-amino-3-(2,4-dinitrophenyl)propanoic acid (49607-21-8,1217849-53-0)

Guidance literature:

With sulfuric acid; uronium nitrate; at 0 - 60 ℃; for 5h; Temperature; Reagent/catalyst; Time; regioselective reaction;

DOI:10.1007/s11164-012-0673-z

Reference yield:

L-phenylalanine (63-91-2,25191-15-5,658-69-5,67675-33-6) → (2S)-2-amino-3-(2,4-dinitrophenyl)propanoic acid (49607-21-8,1217849-53-0)

Guidance literature:

With uronium nitrate;

DOI:10.1021/je100352r

Reference yield:

→ 2,4-Dinitro-Phenylalanin (49607-21-8,1217849-53-0)

Guidance literature:

Aus D(-)-Alanin in A., 1-Fluor-2,4-dinitrobenzol, NaHCO3;

DOI:10.1021/jo01344a064

upstream raw materials:

L-phenylalanine

4-nitro-3-phenyl-L-alanine

Downstream raw materials:

(S)-indoline-2-carboxylic acid

Refernces

• 1、 Liu, Jin-Qiang,Qian, Chao,Chen, Xin-Zhi. "Solubilities of 2,4-Dinitro-L-phenylalanine in Monosolvents at (273.15 to 368.15) K". body text. p. 5302 - 5304. Retrieved 2011/08/22.