Melarsen oxide

Base Information

• Chemical Name: Melarsen oxide
• CAS No.: 21840-08-4
• Molecular Formula: C9H9 As N6 O
• Molecular Weight: 292.132
• Hs Code.: 2933699090
• European Community (EC) Number: 244-612-8
• NSC Number: 34642
• UNII: 2XH88IXE7W
• DSSTox Substance ID: DTXSID30176247
• Nikkaji Number: J225.456E,J990.184A
• Wikidata: Q27255764
• ChEMBL ID: CHEMBL313792
• Mol file: 21840-08-4.mol

Synonyms:melarsen oxide;melarsenoxide;p-(4,6-diamino-1,3,5-triazin-2-yl)aminophenylarsonous acid

Chemical Property of Melarsen oxide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 119.81000
• Density: g/cm³
• LogP: 0.80250
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 292.005378
• Heavy Atom Count: 17
• Complexity: 250

Purity/Quality:

99%, ^*data from raw suppliers

MelarsenOxide ^*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
• Uses: Melarsen Oxide is the active metabolite of Melarsoprol (M215100), the main drug used against late-stage sleeping sickness caused by Trypanosoma brucei subspecies.

Technology Process of Melarsen oxide

There total 3 articles about Melarsen oxide 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:

melarsen (5806-89-3) → melarsen oxide (21840-08-4)

Guidance literature:

With hydrogenchloride; sulfur dioxide; in Gegenwart von HI;

DOI:10.1021/ja01238a047 DOI:10.1021/ja01238a046

Reference yield:

p-aminophenylarsonic acid (98-50-0) → melarsen oxide (21840-08-4)

Guidance literature:

Multi-step reaction with 3 steps

2: aqueous NH₃

3: SO₂; aqueous HCl / in Gegenwart von HI

With hydrogenchloride; ammonium hydroxide; sulfur dioxide;

DOI:10.1021/ja01238a047

Reference yield:

[4-(4,6-dichloro-[1,3,5]triazin-2-ylamino)-phenyl]-arsonic acid (69239-50-5) → melarsen oxide (21840-08-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous NH₃

2: SO₂; aqueous HCl / in Gegenwart von HI

With hydrogenchloride; ammonium hydroxide; sulfur dioxide;

DOI:10.1021/ja01238a047

upstream raw materials:

melarsen

p-aminophenylarsonic acid

[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