Sulfamonomethoxine

Base Information

• Chemical Name: Sulfamonomethoxine
• CAS No.: 1220-83-3
• Molecular Formula: C11H12N4O3S
• Molecular Weight: 280.307
• Hs Code.: 29350090
• European Community (EC) Number: 624-483-8
• NSC Number: 757862
• UNII: U700P169W2
• DSSTox Substance ID: DTXSID8045351
• Nikkaji Number: J4.537C
• Wikidata: Q27114805
• NCI Thesaurus Code: C72853
• Metabolomics Workbench ID: 67499
• ChEMBL ID: CHEMBL462990
• Mol file: 1220-83-3.mol

Synonyms:Sulfamonomethoxine

Chemical Property of Sulfamonomethoxine

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Vapor Pressure: 1.2E-10mmHg at 25°C
• Melting Point: 203-206 °C
• Refractive Index: 1.646
• Boiling Point: 513.2 °C at 760 mmHg
• PKA: pKa 5.94 (Uncertain)
• Flash Point: 264.2 °C
• PSA: 115.58000
• Density: 1.465 g/cm³
• LogP: 2.60320
• Storage Temp.: 0-6°C
• Solubility.: methanol: soluble10mg/mL
• Water Solubility.: Soluble in water at 10mg/ml with warming. Also soluble in ethanol or methanol
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 280.06301143
• Heavy Atom Count: 19
• Complexity: 376

Purity/Quality:

99% ^*data from raw suppliers

Sulfamonomethoxine 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-43
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N
• Uses: Protein binding. Inhibitor of enzyme. Sulfamonomethoxine and Trimethoprim antibacterial Protein binding. Inhibitor of enzyme. Sulfamonomethoxine and Trimethoprim are used for treating porcine unknown hyperpyrexia.

Technology Process of Sulfamonomethoxine

There total 4 articles about Sulfamonomethoxine 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-nitrobenzenediazonium chloride (100-05-0) → sulfamonomethoxine (1220-83-3)

Guidance literature:

Multi-step reaction with 3 steps

1: SO₂ / CuSO₄ / acetic acid / 6 - 20 °C

2: 92 percent / pyridine / 2 h / 56 - 58 °C

3: Fe, NH₄Cl / H₂O / 10 h / Heating

With pyridine; sulfur dioxide; iron; ammonium chloride; copper(II) sulfate; In water; acetic acid;

DOI:10.1007/BF01156380

Reference yield:

4-Nitrobenzenesulfonamido-6-methoxypyrimidine (1748-50-1) → sulfamonomethoxine (1220-83-3)

Guidance literature:

With iron; ammonium chloride; In water; for 10h; Yield given; Heating;

DOI:10.1007/BF01156380

Reference yield:

4-Nitrobenzenesulfonyl chloride (98-74-8) → sulfamonomethoxine (1220-83-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / pyridine / 2 h / 56 - 58 °C

2: Fe, NH₄Cl / H₂O / 10 h / Heating

With pyridine; iron; ammonium chloride; In water;

DOI:10.1007/BF01156380

upstream raw materials:

4-Nitrobenzenesulfonamido-6-methoxypyrimidine

4-nitrobenzenediazonium chloride

4-Nitrobenzenesulfonyl chloride

Downstream raw materials:

4-amino-N-(6-hydroxy-4-pyrimidinyl)benzenesulfonamide

C₂₃H₁₈N₇O₈S₂^(1-)*Na⁽¹⁺⁾