Triadimenol-tert-butylhydroxy

Base Information

• Chemical Name: Triadimenol-tert-butylhydroxy
• CAS No.: 72699-18-4
• Molecular Formula: C14H18ClN3O3
• Molecular Weight: 311.768
• DSSTox Substance ID: DTXSID401349621
• Nikkaji Number: J2.139.366E
• Wikidata: Q107966529

Synonyms:Bay KWG 1342;Bay KWG-1342;KWG 1342

Chemical Property of Triadimenol-tert-butylhydroxy

Chemical Property:

• Vapor Pressure: 2.92E-12mmHg at 25°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 311.1036691
• Heavy Atom Count: 21
• Complexity: 325

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CO)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O

Technology Process of Triadimenol-tert-butylhydroxy

There total 2 articles about Triadimenol-tert-butylhydroxy 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:

1-(4-chloro-phenoxy)-4-hydroxy-3,3-dimethyl-1-[1,2,4]triazol-1-yl-butan-2-one (72699-20-8) → 4-(4-chlorophenoxy)-2,2-dimethyl-4-(1H-1,2,4-triazol-1-yl)butan-1,3-diol (72699-18-4) + 4-acetoxy-1-(4-chloro-phenoxy)-3,3-dimethyl-1-[1,2,4]triazol-1-yl-butan-2-one (66126-23-6)

Guidance literature:

With sodium borohydrid; In dichloromethane; water; isopropyl alcohol;

Reference yield:

→ 4-(4-chlorophenoxy)-2,2-dimethyl-4-(1H-1,2,4-triazol-1-yl)butan-1,3-diol (72699-18-4)

Guidance literature:

2-Keton, NaBH4;

Reference yield:

acetyl chloride (75-36-5) + 4-(4-chlorophenoxy)-2,2-dimethyl-4-(1H-1,2,4-triazol-1-yl)butan-1,3-diol (72699-18-4) + naphthalene-1,5-disulfonate (81-04-9) → 2,4-diacetoxy-1-(4-chloro-phenoxy)-3,3-dimethyl-1-[1,2,4]triazol-1-yl-butane (72699-19-5)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; di-isopropyl ether; water; acetone;

upstream raw materials:

1-(4-chloro-phenoxy)-4-hydroxy-3,3-dimethyl-1-[1,2,4]triazol-1-yl-butan-2-one

Downstream raw materials:

2,4-diacetoxy-1-(4-chloro-phenoxy)-3,3-dimethyl-1-[1,2,4]triazol-1-yl-butane

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