Clazuril

Base Information

• Chemical Name: Clazuril
• CAS No.: 101831-36-1
• Molecular Formula: C17H10 Cl2 N4 O2
• Molecular Weight: 373.1929
• UNII: O8W0R05772
• DSSTox Substance ID: DTXSID30869364
• Nikkaji Number: J2.787.971C
• Wikipedia: Clazuril
• Wikidata: Q3680360
• NCI Thesaurus Code: C82246
• ChEMBL ID: CHEMBL2104190
• Mol file: 101831-36-1.mol

Synonyms:Appertex;clazuril;R 62690;R-62690

Chemical Property of Clazuril

Chemical Property:

• Melting Point: 196.8°
• Boiling Point: °Cat760mmHg
• PKA: 6.16±0.20(Predicted)
• Flash Point: °C
• PSA: 91.54000
• Density: 1.48g/cm³
• LogP: 2.88308
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 372.0180810
• Heavy Atom Count: 25
• Complexity: 609

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2)N3C(=O)NC(=O)C=N3)Cl)Cl
• Uses: Clazuril is a synthetic coccidiostat drug administered to animals especially in poultry, to cure coccidiosis.

Technology Process of Clazuril

There total 1 articles about Clazuril 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:

2-[3-chloro-4-[chloro(4-chlorophenyl)methyl]phenyl]-1,2,4-triazine-3,5-(2H,4H)-dione (103337-60-6) → 2-chloro-α-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetonitrile (101831-36-1)

Guidance literature:

In methanol; tetrachloromethane; chloroform; acetonitrile;

Reference yield:

2-chloro-α-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetonitrile (101831-36-1) → 2-chloro-α-(4-chlorophenyl)-4-(3,4,5,6-tetrahydro-3,5-dioxo-1,2,4-triazin-2(1 H)-yl)benzeneacetonitrile

Guidance literature:

With sodium hydroxide; In water;

Reference yield:

2-chloro-α-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetonitrile (101831-36-1) + chloroform (67-66-3,8013-54-5) → 2-chloro-α-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3 H)-yl)benzeneacetic acid

Guidance literature:

With sulfuric acid; acetic acid; In methanol; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; di-isopropyl ether; water;

upstream raw materials:

2-[3-chloro-4-[chloro(4-chlorophenyl)methyl]phenyl]-1,2,4-triazine-3,5-(2H,4H)-dione

Downstream raw materials:

2,6-dichloro-α-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3 H)-yl)benzeneacetamide

Refernces