Acetarsol

Base Information

• Chemical Name: Acetarsol
• CAS No.: 97-44-9
• Molecular Formula: C8H10 As N O5
• Molecular Weight: 275.093
• Hs Code.: 2931900090
• European Community (EC) Number: 208-597-1,202-582-3
• NSC Number: 757386,13160,3247
• UNII: 806529YU1N
• DSSTox Substance ID: DTXSID9045847
• Nikkaji Number: J1.495H
• Wikipedia: Acetarsol
• Wikidata: Q584079
• NCI Thesaurus Code: C61621
• Metabolomics Workbench ID: 154095
• ChEMBL ID: CHEMBL1330792
• Mol file: 97-44-9.mol

Synonyms:acetarsol;acetarsol, calcium salt;acetarsol, monosodium salt;acetarsol, sodium salt;osarsol

Chemical Property of Acetarsol

Chemical Property:

• Melting Point: 220.5°C
• Boiling Point: °Cat760mmHg
• PKA: pKa 3.73 (H2O t=26) (Uncertain);7.9 (Uncertain); 9.3(H2O) (Uncertain)
• Flash Point: °C
• PSA: 106.86000
• Density: g/cm³
• LogP: -1.01540
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 274.977492
• Heavy Atom Count: 15
• Complexity: 289

Purity/Quality:

99%, ^*data from raw suppliers

Acetarsone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,N
• Statements: 23/25-50/53
• Safety Statements: 20/21-28-45-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=CC(=C1)[As](=O)(O)O)O
• Uses: antiprotozoal; diethylamine salt as antiphilitic
• Therapeutic Function: Antiprotozoal, Tonic

Technology Process of Acetarsol

There total 5 articles about Acetarsol 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:

3-amino-4-hydroxyphenylarsonic acid (2163-77-1) + acetic anhydride (108-24-7) → acetarsone (97-44-9)

Guidance literature:

With water; at 50 - 55 ℃;

DOI:10.1021/ja01436a022

Reference yield:

roxarsone (121-19-7) → acetarsone (97-44-9)

Guidance literature:

Multi-step reaction with 2 steps

1: alkali; Na₂S₂O₄

2: water / 50 - 55 °C

With sodium dithionite; water;

DOI:10.1021/ja01436a022

Reference yield:

acetic anhydride (108-24-7) → acetarsone (97-44-9)

Guidance literature:

With water; at 50 - 55 ℃;

upstream raw materials:

3-amino-4-hydroxyphenylarsonic acid

acetic anhydride

roxarsone

Downstream raw materials:

N-(5-bromo-2-hydroxyphenyl)acetamide

acetic acid-(5-arsenoso-2-hydroxy-anilide)