1-Fluoro-2,4-dinitrophenyl-5-alanine

Base Information

• Chemical Name: 1-Fluoro-2,4-dinitrophenyl-5-alanine
• CAS No.: 346-48-5
• Molecular Formula: C₉H₈FN₃O₆
• Molecular Weight: 273.177
• DSSTox Substance ID: DTXSID30188168
• Wikidata: Q83059987
• Mol file: 346-48-5.mol

Synonyms:1-fluoro-2,4-dinitrophenyl-5-alanine;FDNPA

Chemical Property of 1-Fluoro-2,4-dinitrophenyl-5-alanine

Chemical Property:

• Vapor Pressure: 1.02E-11mmHg at 25°C
• Boiling Point: 521.9°Cat760mmHg
• Flash Point: 269.4°C
• PSA: 140.97000
• Density: 1.657g/cm³
• LogP: 2.64650
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 273.03971315
• Heavy Atom Count: 19
• Complexity: 381

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Fluoro-2,4-dinitrophenyl-5-alanine

There total 1 articles about 1-Fluoro-2,4-dinitrophenyl-5-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:

1,5-difluoro-2,4-dinitrobenzene (327-92-4) + rac-Ala-OH (302-72-7,25191-17-7,18875-37-1) → N-(5-fluoro-2,4-dinitro-phenyl)-alanine (346-48-5)

Guidance literature:

With ethanol; sodium hydrogencarbonate;

Reference yield:

N-α-5-fluoro-2,4-dinitrophenyl-5-L-alanineamide (346-48-5) + (2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol (20989-19-9,176035-15-7) → C19H22N4O8

Guidance literature:

With sodium hydrogencarbonate; In acetone; at 45 ℃; for 1h;

DOI:10.3390/md11062054

Reference yield:

N-α-5-fluoro-2,4-dinitrophenyl-5-L-alanineamide (346-48-5) + ?Tyr (556-02-5,556-03-6,34537-57-0,55520-40-6,96946-98-4,60-18-4,18875-48-4,25619-78-7,30704-25-7) → C18H18N4O8

Guidance literature:

With sodium hydrogencarbonate; In acetone; at 45 ℃; for 1h;

DOI:10.3390/md11062054

upstream raw materials:

1,5-difluoro-2,4-dinitrobenzene

rac-Ala-OH

Downstream raw materials:

D-glutamate DNPA

L-glutamate DNPA

D-glutamic acid

C₁₄H₁₇N₅O₉

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