(R)-Enilconazole

Base Information

• Chemical Name: (R)-Enilconazole
• CAS No.: 166734-81-2
• Molecular Formula: C₁₄H₁₄Cl₂N₂O
• Molecular Weight: 297.184
• UNII: K002UP533G
• DSSTox Substance ID: DTXSID901318025
• Nikkaji Number: J323.182H
• Wikidata: Q27157266
• Pharos Ligand ID: FBNX2PB6RTY9
• ChEMBL ID: CHEMBL1359713
• Mol file: 166734-81-2.mol

Synonyms:(R)-Enilconazole;(R)-Imazalil;Enilconazole, (-)-;UNII-K002UP533G;166734-81-2;K002UP533G;CHEBI:83831;1H-Imidazole, 1-((2R)-2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl)-;1H-Imidazole, 1-((2R)-2-(2,4-dichlorophenyl)-2-(2-propen-1-yloxy)ethyl)-;1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl)-, (R)-;(-)-enilconazole;(-)-imazalil;CAS-35554-44-0;ENILCONAZOLE, (R)-;SCHEMBL7913333;CHEMBL1359713;DTXSID901318025;NCGC00016832-01;Q27157266;1-[(2R)-2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole;1-[(betaR)-beta-(Allyloxy)-2,4-dichlorophenethyl]-1H-imidazole

Chemical Property of (R)-Enilconazole

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 296.0483185
• Heavy Atom Count: 19
• Complexity: 291

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
• Isomeric SMILES: C=CCO[C@@H](CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl

Technology Process of (R)-Enilconazole

There total 3 articles about (R)-Enilconazole 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:

(R)-2-Chloro-(2',4'-dichlorophenyl)-1-ethanol → R-(?)-imazalil (166734-81-2)

Guidance literature:

With sodium iodide; In ethyl acetate; acetone;

Reference yield:

1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole (35554-44-0) → S-(+)-imazalil (166734-82-3) + R-(?)-imazalil (166734-81-2)

Guidance literature:

With CHIRALCEL OJ column (10 μm; 250*4.6 mm); In methanol; ethanol; hexane; Solvent; Resolution of racemate;

Reference yield:

→ R-(?)-imazalil (166734-81-2)

Guidance literature:

upstream raw materials:

1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole

Refernces

• 1、 Podolska, Marzena,Bia?ecka, Wanda,Kulik, Anna,Kwiatkowska-Puchniarz, Barbara,Mazurek, Aleksander. "HPLC method for separating enantiomers of imidazole derivatives - Antifungal compounds". . p. 777 - 784. Retrieved 2017/06/05.