Sulfamerazine

Base Information

• Chemical Name: Sulfamerazine
• CAS No.: 127-79-7
• Deprecated CAS: 99482-27-6
• Molecular Formula: C11H12N4O2S
• Molecular Weight: 264.308
• Hs Code.: 2935904000
• European Community (EC) Number: 204-866-2
• NSC Number: 757325,27259
• UNII: UR1SAB295F
• DSSTox Substance ID: DTXSID0023612
• Nikkaji Number: J5.402J
• Wikipedia: Sulfamerazine
• Wikidata: Q415196
• NCI Thesaurus Code: C61959
• Metabolomics Workbench ID: 43575
• ChEMBL ID: CHEMBL438
• Mol file: 127-79-7.mol

Synonyms:Mebacid;Methylsulfadiazine;Sulfamerazine;Trimetox

Chemical Property of Sulfamerazine

Chemical Property:

• Appearance/Colour: White Solid
• Vapor Pressure: 7.03E-11mmHg at 25°C
• Melting Point: 234-238 °C
• Refractive Index: 1.66
• Boiling Point: 519.1 °C at 760 mmHg
• PKA: pKa 2.29(H2O t = 24.0 I = 0.5 (NaCl)) (Uncertain)
• Flash Point: 267.8 °C
• PSA: 106.35000
• Density: 1.439 g/cm³
• LogP: 2.90300
• Storage Temp.: 0-6°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: 202mg/L(20 oC)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 264.06809681
• Heavy Atom Count: 18
• Complexity: 360

Purity/Quality:

99% ^*data from raw suppliers

Sulfamerazine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N
• Uses: Antibacterial.
• Therapeutic Function: Antibacterial

Technology Process of Sulfamerazine

There total 21 articles about Sulfamerazine 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-Methyl-pyrimidin-2-ylamin (108-52-1) + p-acetylaminobenzenesulfonyl chloride (121-60-8) → sulfamerazina (127-79-7)

Guidance literature:

4-Methyl-pyrimidin-2-ylamin; p-acetylaminobenzenesulfonyl chloride; With pyridine; In tetrahydrofuran; at 20 ℃; for 6h;

With sodium hydroxide; for 2h; Reflux;

DOI:10.1016/j.ejmech.2017.04.074

Reference yield:

N-[4-(4-Methyl-pyrimidin-2-ylsulfamoyl)-phenyl]-acetamide (127-73-1) → sulfamerazina (127-79-7)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01262a034 DOI:10.1021/ja01856a046 DOI:10.1021/ja01865a027

Reference yield:

4-Methyl-pyrimidin-2-ylamin (108-52-1) → sulfamerazina (127-79-7)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine

2: aq. NaOH solution

With pyridine; sodium hydroxide;

DOI:10.1021/ja01262a034 DOI:10.1021/ja01856a046 DOI:10.1021/ja01865a027

upstream raw materials:

2-chloro-4-methylpyrimidine

sulfanilamide

1-amino-4-({[amino(imino)methyl]amino}sulfonyl)benzene

4-methyl-2-phenoxy-pyrimidine

Downstream raw materials:

N-[4-(4-methyl-pyrimidin-2-ylsulfamoyl)-phenyl]-succinamic acid

Refernces

• 1、 -. "Process for formulating a synthetic drug for use in animal feed, and resulting formulation". . . Retrieved 2008/06/13.