[4-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonic acid

Base Information

• Chemical Name: [4-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonic acid
• CAS No.: 5806-89-3
• Molecular Formula: C9H11 As N6 O3
• Molecular Weight: 326.146
• European Community (EC) Number: 227-365-0
• NSC Number: 10894
• UNII: FSE56BH8XT
• DSSTox Substance ID: DTXSID40206786
• Nikkaji Number: J218.067G
• Wikidata: Q83080645
• Mol file: 5806-89-3.mol

Synonyms:5806-89-3;[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonic acid;NSC10894;FSE56BH8XT;(4-((4,6-Diamino-1,3,5-triazin-2-yl)amino)phenyl)arsonic acid;EINECS 227-365-0;NSC 10894;NSC-10894;UNII-FSE56BH8XT;C9H11AsN6O3;ANTINEOPLASTIC-10894;C9-H11-As-N6-O3;DTXSID40206786;(4-ARSONOPHENYL)-1,3,5-TRIAZINE-2,4,6-TRIAMINE;ARSANILIC ACID, N-(4,6-DIAMINO-S-TRIAZIN-2-YL)-;1,3,5-TRIAZINE-2,4,6-TRIAMINE, (4-ARSONOPHENYL)-;4-((4,6-Diamino-1,3,5-triazin-2-yl)amino)phenylarsonic acid;4-[(4,6-Diamino-1,3,5-triazine-2-yl)amino]phenylarsonic acid;ARSONIC ACID, (4-((4,6-DIAMINO-1,3,5-TRIAZIN-2-YL)AMINO)PHENYL)-

Chemical Property of [4-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonic acid

Chemical Property:

• Vapor Pressure: 9.92E-26mmHg at 25°C
• Boiling Point: 781.7°Cat760mmHg
• Flash Point: 426.5°C
• PSA: 160.27000
• Density: g/cm³
• LogP: -0.42400
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: DMSO, Water
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 326.010858
• Heavy Atom Count: 19
• Complexity: 335

Purity/Quality:

99% ^*data from raw suppliers

[4-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC2=NC(=NC(=N2)N)N)[As](=O)(O)O
• Uses: [4-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonic Acid is an intermediate in the synthesis of Melarsoprol (M215100), a drug used for the treatment of Arican trypanosomes, a sleeping sickness in humans, a disease that is typically fatal without chemotherapy.

Technology Process of [4-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonic acid

There total 3 articles about [4-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonic 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:

[4-(4,6-dichloro-[1,3,5]triazin-2-ylamino)-phenyl]-arsonic acid (69239-50-5) → melarsen (5806-89-3)

Guidance literature:

With ammonium hydroxide;

DOI:10.1021/ja01238a047

Reference yield:

p-aminophenylarsonic acid (98-50-0) → melarsen (5806-89-3)

Guidance literature:

Multi-step reaction with 2 steps

2: aqueous NH₃

With ammonium hydroxide;

DOI:10.1021/ja01238a047

Reference yield:

p-aminophenylarsonic acid (98-50-0) + 2-Chloro-4,6-diamino-1,3,5-triazine (3397-62-4) → melarsen (5806-89-3)

Guidance literature:

With hydrogenchloride; unter Zusatz von Octan-1-ol;

DOI:10.1021/ja01238a046

upstream raw materials:

p-aminophenylarsonic acid

2-Chloro-4,6-diamino-1,3,5-triazine

[4-(4,6-dichloro-[1,3,5]triazin-2-ylamino)-phenyl]-arsonic acid

Downstream raw materials:

{[4-(4,6-diamino-[1,3,5]triazin-2-ylamino)-phenyl]-arsanediyldimercapto}-di-acetic acid ; disodium-salt

Melarsoprol

melarsen oxide