Uniconazole

Base Information

• Chemical Name: Uniconazole
• CAS No.: 83657-22-1
• Deprecated CAS: 1135441-36-9,76714-83-5,105465-87-0
• Molecular Formula: C15H18ClN3O
• Molecular Weight: 291.78
• Hs Code.: 29339900
• European Community (EC) Number: 617-483-4
• UNII: R4ATA06H50
• DSSTox Substance ID: DTXSID7032505
• Nikkaji Number: J243.011H
• Wikipedia: Uniconazole
• Wikidata: Q27159154
• Metabolomics Workbench ID: 55740
• ChEMBL ID: CHEMBL138177
• Mol file: 83657-22-1.mol

Synonyms:beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol;uniconazole

Chemical Property of Uniconazole

Chemical Property:

• Appearance/Colour: White-light brown crystalline
• Vapor Pressure: 8.19E-10mmHg at 25°C
• Melting Point: 153 °C
• Refractive Index: 1.579
• Boiling Point: 474.6 °C at 760 mmHg
• PKA: 13.07±0.20(Predicted)
• Flash Point: 240.8 °C
• PSA: 50.94000
• Density: 1.18 g/cm³
• LogP: 3.33660
• Storage Temp.: 0-6°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 291.1138399
• Heavy Atom Count: 20
• Complexity: 346

Purity/Quality:

95%, ^*data from raw suppliers

Uniconazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(C(=CC1=CC=C(C=C1)Cl)N2C=NC=N2)O
• Isomeric SMILES: CC(C)(C)C(/C(=C\C1=CC=C(C=C1)Cl)/N2C=NC=N2)O
• Uses: Uniconazole is a plant growth regulator, absorbed by the stems and roots. Uniconazole is used to reduce lodging in rice; to reduce vegetative growth and increase flowering of ornamentals; and to reduc e vegetative growth and the need for pruning in trees. Uniconazole is an insecticide. Uniconazole is a plant growth regulator, absorbed by the stems and roots. Uniconazole is used to reduce lodging in rice; to reduce vegetative growth and increase flowering of ornamentals; and to reduce vegetative growth and the need for pruning in trees. Uniconazole is an insecticide.

Technology Process of Uniconazole

There total 10 articles about Uniconazole 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:

(S)-2-amino-1,1-diphenyl-4-methylpentan-1-ol (78603-97-1) + (E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-one (76713-89-8) → uniconazole (83657-22-1,83657-16-3)

Guidance literature:

With sodium borohydrid; acetic acid; In N-methyl-acetamide; dichloromethane; chloroform;

Reference yield:

2-amino-1-(2,4-dimethoxy-phenyl)-propan-1-ol; hydrochloride (63991-14-0) + (E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-one (76713-89-8) → uniconazole (83657-22-1,83657-16-3)

Guidance literature:

With hydrogenchloride; sodium borohydrid; In N-methyl-acetamide; 1,2-dichloro-ethane;

Reference yield:

carbon tetrachloride-n-hexane + (-)-menthol (2216-51-5) + 1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-pent-1-en-3-one (76714-84-6) → uniconazole (83657-22-1,83657-16-3)

Guidance literature:

With hydrogenchloride; LiAlH₄; In tetrahydrofuran; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; water;

upstream raw materials:

1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-one

3,3-dimethyl-butan-2-one

1-Bromopinacolon

3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone

Downstream raw materials:

C₁₆H₁₆ClN₃O₂

(E)-1-(1-(4-chlorophenyl)-3-methoxy-4,4-dimethylpent-1-en-2-yl)-1H-1,2,4-triazole

(E)-(S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-penta-1-ene-3-ol

(R)-(-)-(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol

Refernces

• 1、 Min, Yong Ki,Asami, Tadao,Fujioka, Shozo,Murofushi, Noboru,Yamaguchi, Isomaro,Yoshida, Shigeo. "New lead compounds for brassinosteroid biosynthesis inhibitors". . p. 425 - 430. Retrieved 2007/10/03.
• 2、 -. "Method for the treatment of plants with agrochemical tablet compositions". . . Retrieved 2008/06/13.