DNP-beta-alanine

Base Information

• Chemical Name: DNP-beta-alanine
• CAS No.: 3185-97-5
• Molecular Formula: C9H9 N3 O6
• Molecular Weight: 255.187
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID10399316
• Nikkaji Number: J366.108C
• Wikidata: Q82201790
• Mol file: 3185-97-5.mol

Synonyms:DNP-beta-alanine;3185-97-5;3-(2,4-dinitroanilino)propanoic acid;N-(2,4-Dinitrophenyl)-beta-alanine;3-((2,4-dinitrophenyl)amino)propanoic acid;DNP-ALPHA-ALANINE;DNP-ss-Alanin;DNP- beta -alanine;SCHEMBL7349997;DTXSID10399316;XSSZEVXYIHNWQO-UHFFFAOYSA-N;STK865673;AKOS000805841;3-(2,4-dinitrophenylamino)propanoic acid;CS-0365408;FT-0736275;3-(2',4'-Dinitrophenylamino) propionic acid;SR-01000004943;J-018556;SR-01000004943-1;F0146-0003

Chemical Property of DNP-beta-alanine

Chemical Property:

• Melting Point: 121-125 °C (decomp)
• Boiling Point: 516.5±50.0 °C(Predicted)
• PKA: 4.36±0.10(Predicted)
• PSA: 140.97000
• Density: 1.592±0.06 g/cm3(Predicted)
• LogP: 2.50900
• Storage Temp.: −20°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 255.04913502
• Heavy Atom Count: 18
• Complexity: 336

Purity/Quality:

99% ^*data from raw suppliers

N-(2,4-DINITROPHENYL)-BETA-ALANINE 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-])NCCC(=O)O

Technology Process of DNP-beta-alanine

There total 4 articles about DNP-beta-alanine 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: 87.0%

2,4-Dinitrofluorobenzene (70-34-8,65727-75-5) + 3-amino propanoic acid (107-95-9) → 3-(2,4-dinitrophenylamino)propionic acid (3185-97-5)

Guidance literature:

With sodium carbonate; In 1,4-dioxane; water; for 18h;

DOI:10.1021/jo00023a035

Reference yield:

1-chloro-2,4-dinitro-benzene (97-00-7) + 3-amino propanoic acid (107-95-9) → 3-(2,4-dinitrophenylamino)propionic acid (3185-97-5)

Guidance literature:

DOI:10.1016/S0960-894X(96)00534-3

Reference yield:

→ 4-(2,4-dinitrophenylamino)phenylphosphonic acid (149651-26-3) + 3-(2,4-dinitrophenylamino)propionic acid (3185-97-5)

Guidance literature:

upstream raw materials:

2,4-Dinitrofluorobenzene

3-amino propanoic acid

1-chloro-2,4-dinitro-benzene

Downstream raw materials:

3-(2,4-Dinitro-phenylamino)-propionic acid ethyl ester

2,4-Dinitrophenol

Refernces

• 1、 -. "Quinoxaline-phosphonic acid derivatives". . . Retrieved 2008/06/13.
• 2、 Bray, Andrew M.,Maeji, N. Joe,Valerio, Robert M.,Campbell, Rhonda A.,Geysen, H. Mario. "Direct Cleavage of Peptides from a Solid Support into Aqueous Buffer. Application in Simultaneous Multiple Peptide Synthesis". . p. 6659 - 6666. Retrieved 2007/10/02.