Sulphamoprine

Base Information

• Chemical Name: Sulphamoprine
• CAS No.: 155-91-9
• Molecular Formula: C12H14N4O4S
• Molecular Weight: 310.334
• Hs Code.: 2935009090
• NSC Number: 8560
• UNII: E7C6PMZ54M
• DSSTox Substance ID: DTXSID60165785
• Nikkaji Number: J10.987H
• Wikidata: Q27276968
• NCI Thesaurus Code: C72130
• ChEMBL ID: CHEMBL2105530
• Mol file: 155-91-9.mol

Synonyms:4,6-dimethoxy-2-sulfanilamidopyrimidine;sulfamoprine

Chemical Property of Sulphamoprine

Chemical Property:

• Appearance/Colour: yellow to straw yellow powder
• Vapor Pressure: 4.92E-13mmHg at 25°C
• Melting Point: 200oC
• Refractive Index: 1.622
• Boiling Point: 570.679 °C at 760 mmHg
• PKA: 6.69±0.10(Predicted)
• Flash Point: 298.936 °C
• PSA: 124.81000
• Density: 1.441 g/cm³
• LogP: 2.61180
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 310.07357611
• Heavy Atom Count: 21
• Complexity: 408

Purity/Quality:

99% ^*data from raw suppliers

SULFADIMETHOXYPYRIMIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)OC

Technology Process of Sulphamoprine

There total 5 articles about Sulphamoprine 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-acetylamino-N-(4,6-dimethoxy-pyrimidin-2-yl)-benzenesulfonamide (24341-30-8) → sulphadimethoxine (155-91-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1039/jr9460000081 DOI:10.1021/ja01204a044

Reference yield:

4,6-dimethoxy-2-aminopyrimidine (36315-01-2,256642-28-1) → sulphadimethoxine (155-91-9)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine

2: aqueous NaOH

With pyridine; sodium hydroxide;

DOI:10.1039/jr9460000081 DOI:10.1021/ja01204a044

Reference yield:

p-acetylaminobenzenesulfonyl chloride (121-60-8) → sulphadimethoxine (155-91-9)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine

2: aqueous NaOH

With pyridine; sodium hydroxide;

upstream raw materials:

4,6-dimethoxy-2-aminopyrimidine

4-Nitrobenzenesulfonyl chloride

4-acetylamino-N-(4,6-dimethoxy-pyrimidin-2-yl)-benzenesulfonamide

p-acetylaminobenzenesulfonyl chloride

Downstream raw materials:

{(E)-3-[(E)-4-(4,6-Dimethoxy-pyrimidin-2-ylsulfamoyl)-phenylimino]-but-1-enyl}-triphenyl-phosphonium; chloride

1,3-dihydro-5-1-(4',6'-dimethoxypyrimidin-2'-yl)-p-sulphamylbenzeneazo>-1-(2'-naphthyl)-3-phenyl-2-thioxo-2H,5H-pyrimidine-4,6-dione

1,3-dihydro-5-1-(4',6'-dimethoxypyrimidin-2'-yl)-p-sulphamylbenzeneazo>-1-(2'-naphthyl)-3-(p-tolyl)-2-thioxo-2H,5H-pyrimidine-4,6-dione

{(E)-4-Chloro-3-[(Z)-4-(4,6-dimethoxy-pyrimidin-2-ylsulfamoyl)-phenylimino]-but-1-enyl}-triphenyl-phosphonium; chloride