alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol

Base Information

• Chemical Name: alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol
• CAS No.: 76608-49-6
• Molecular Formula: C₁₅H₂₅N₃O
• Molecular Weight: 263.383
• European Community (EC) Number: 278-497-0
• Nikkaji Number: J319.338A
• Mol file: 76608-49-6.mol

Synonyms:76608-49-6;EINECS 278-497-0;alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol;SCHEMBL5498562;beta-(Cyclohexylmethylene)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol

Chemical Property of alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol

Chemical Property:

• Boiling Point: 420.2oC at 760 mmHg
• Flash Point: 207.9oC
• PSA: 50.94000
• Density: 1.1g/cm3
• LogP: 3.10630
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 263.199762429
• Heavy Atom Count: 19
• Complexity: 316

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(=CC1CCCCC1)N2C=NC=N2)O
• Isomeric SMILES: CC(C)(C)C(/C(=C/C1CCCCC1)/N2C=NC=N2)O

Technology Process of alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol

There total 11 articles about alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol 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-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-pent-1-en-3-one → 1-cyclohexyl-4,4-dimethyl-3-hydroxy-2(1H-1,2,4-triazol-1-yl)-pent-1-ene (76608-66-7,76608-88-3,93851-05-9,93851-06-0,76608-49-6)

Guidance literature:

With sodium borohydrid; In methanol; dichloromethane;

Reference yield:

(S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-aminium chloride (130432-39-2) + (E)-1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-pent-1-en-3-one (76608-93-0) → (E)-1-cyclohexyl-4,4-dimethyl-3-hydroxy-2-(1,2,4-triazol-1-yl)-pent-1-ene (76608-88-3,93851-05-9,93851-06-0,76608-49-6)

Guidance literature:

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

Reference yield:

(E)-1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-pent-1-en-3-one (76608-93-0) + (S)-2-amino-1,1-diphenyl-4-methylpentan-1-ol (78603-97-1) + borane tetrahydrofuran → (E)-1-cyclohexyl-4,4-dimethyl-3-hydroxy-2-(1,2,4-triazol-1-yl)-pent-1-ene (76608-88-3,93851-05-9,93851-06-0,76608-49-6)

Guidance literature:

With hydrogenchloride; In 1,2-dichloro-ethane;

upstream raw materials:

(E)-1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-pent-1-en-3-one

(S)-2-amino-1,1-diphenyl-4-methylpentan-1-ol

1,1-diphenyl-L-valinol

(S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-aminium chloride