Kopexil

Base Information

• Chemical Name: Kopexil
• CAS No.: 74638-76-9
• Molecular Formula: C4H6N4O
• Molecular Weight: 126.118
• Hs Code.: 2933599090
• European Community (EC) Number: 616-121-2
• UNII: 1756681479
• DSSTox Substance ID: DTXSID40996155
• Wikipedia: Kopexil
• Wikidata: Q27247520
• Mol file: 74638-76-9.mol

Synonyms:aminexil

Chemical Property of Kopexil

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.742
• Boiling Point: 475.5 °C at 760 mmHg
• PKA: 5.04±0.47(Predicted)
• Flash Point: 241.374 °C
• PSA: 90.39000
• Density: 1.693 g/cm³
• LogP: 0.83690
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 126.05416083
• Heavy Atom Count: 9
• Complexity: 195

Purity/Quality:

2,4-DIAMINO PYRIMIDINE-3-OXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N(C(=N)N=C1)O)N

Technology Process of Kopexil

There total 3 articles about Kopexil 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: 69.0%

6-chloro-pyrimidine-2,4-diyldiamine (156-83-2) → 2,4-diaminopyrimidine 3-N-oxide (74638-76-9)

Guidance literature:

With potassium hydroxide; hydrogen; palladium on activated charcoal; In ethanol;

Reference yield:

2,4-diaminopyrimidine (156-81-0) → 2,4-diaminopyrimidine 3-N-oxide (74638-76-9)

Guidance literature:

With dihydrogen peroxide; In trifluoroacetic acid; Yield given; 1.) 0 deg C, 3 h, 2.) 20 deg C, 12 h;

Reference yield:

2,4-diaminopyrimidine (156-81-0) → 2,4-diaminopyrimidine 3-N-oxide (74638-76-9) + 2,4-diaminopyrimidine 1-oxide

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In 1,4-dioxane; for 4h; Yield given. Yields of byproduct given; Ambient temperature;

DOI:10.1002/hlca.19800630223

upstream raw materials:

2,4-diaminopyrimidine

6-chloro-pyrimidine-2,4-diyldiamine

Refernces

• 1、 Stadeli,Von Philipsborn. "15N-NNR: Studies of aminopyridines, aminopyrimidines and of some diazine N-oxides". . p. 504 - 522. Retrieved 2007/10/04.