Diclobutrazol

Base Information

• Chemical Name: Diclobutrazol
• CAS No.: 66345-62-8
• Molecular Formula: C15H19Cl2N3O
• Molecular Weight: 328.241
• European Community (EC) Number: 266-324-1,620-436-0
• DSSTox Substance ID: DTXSID90868378
• Nikkaji Number: J286.770B
• Wikidata: Q3026668
• Metabolomics Workbench ID: 67768
• ChEMBL ID: CHEMBL1553129
• Mol file: 66345-62-8.mol

Synonyms:1 (2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol;diclobutrazol;diclobutrazol, ((R*,R*)-(+-))-isomer;diclobutrazol, ((R*,S*)-(+-))-isomer;diclobutrazol, (S-(R*,R*))-isomer

Chemical Property of Diclobutrazol

Chemical Property:

• Boiling Point: 484.3°Cat760mmHg
• Flash Point: 246.7°C
• PSA: 50.94000
• Density: 1.28g/cm³
• LogP: 3.77570
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 327.0905176
• Heavy Atom Count: 21
• Complexity: 337

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(C(CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O
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Technology Process of Diclobutrazol

There total 1 articles about Diclobutrazol 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:

→ (2RS,3RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol (66345-62-8)

Guidance literature:

Reference yield:

Diclobutrazol (66345-62-8,75736-33-3,76673-44-4,83940-00-5,83940-01-6,84709-81-9,84709-82-0) → (-)-diclobutrazol + (+)-diclobutrazol

Guidance literature:

With Lux Cellulose-2 (cellulose tris-(3-chloro-4-methylphenylcarbamate); In hexane; isopropyl alcohol; at 20 ℃; Temperature; Thermodynamic data; Resolution of racemate;

DOI:10.1002/chir.22385

Refernces