Triticonazole [ISO]

Base Information

• Chemical Name: Triticonazole [ISO]
• CAS No.: 131983-72-7
• Molecular Formula: C17H20 Cl N3 O
• Molecular Weight: 317.818
• Hs Code.: 29339900
• European Community (EC) Number: 603-543-7
• DSSTox Substance ID: DTXSID301029648
• Mol file: 131983-72-7.mol

Synonyms:(1RS)-(E)-5-((4-chlorophenyl)methylene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol;triticonazole

Chemical Property of Triticonazole [ISO]

Chemical Property:

• Vapor Pressure: 9.14E-11mmHg at 25°C
• Melting Point: 143～149℃
• Refractive Index: 1.614
• Boiling Point: 498.7°Cat760mmHg
• PKA: 13.23±0.40(Predicted)
• Flash Point: 255.4°C
• PSA: 50.94000
• Density: 1.23g/cm³
• LogP: 3.56620
• Storage Temp.: 0-6°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 317.1294900
• Heavy Atom Count: 22
• Complexity: 432

Purity/Quality:

95%, ^*data from raw suppliers

Triticonazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N
• Statements: 51/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(CCC(=CC2=CC=C(C=C2)Cl)C1(CN3C=NC=N3)O)C
• Isomeric SMILES: CC1(CC/C(=C/C2=CC=C(C=C2)Cl)/C1(CN3C=NC=N3)O)C
• Uses: Agricultural chemical.

Technology Process of Triticonazole [ISO]

There total 1 articles about Triticonazole [ISO] 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-(4-chlorobenzylidene)-5,5-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-1-cyclopentanol (131983-72-7)

Guidance literature:

Reference yield:

hydrogen sulfide (7783-06-4) + 2-(4-chlorobenzylidene)-5,5-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-1-cyclopentanol (131983-72-7) → 2-(4-chloro-benzylidene)-5,5-dimethyl-1-(5-mercapto-1,2,4-triazol-1-yl-methyl)-cyclopentan-1-ol

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; ethyl acetate;

Refernces