5-Methylhex-3-en-2-ol

Base Information

• Chemical Name: 5-Methylhex-3-en-2-ol
• CAS No.: 93399-99-6
• Molecular Formula: C₇H₁₄O
• Molecular Weight: 114.188
• DSSTox Substance ID: DTXSID20706193
• Mol file: 93399-99-6.mol

Synonyms:5-Methylhex-3-en-2-ol;93399-99-6;DTXSID20706193

Chemical Property of 5-Methylhex-3-en-2-ol

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 114.104465066
• Heavy Atom Count: 8
• Complexity: 74.5

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C=CC(C)O

Technology Process of 5-Methylhex-3-en-2-ol

There total 1 articles about 5-Methylhex-3-en-2-ol 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:

5-methyl-3-hexene-2-one (5166-53-0) → 5-methylhexan-2-ol (627-59-8) + (rac,E)-5-methylhex-3-en-2-ol (146513-95-3,146560-03-4,93399-99-6)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃; for 0.333333h; Inert atmosphere;

DOI:10.1039/c2gc35619h

Reference yield: 85.0%

(rac,E)-5-methylhex-3-en-2-ol (146513-95-3,146560-03-4,93399-99-6) + phenyl isocyanate (103-71-9) → (E)-5-methylhex-3-en-2-yl N-phenylcarbamate (97946-17-3)

Guidance literature:

With dmap; triethylamine; In dichloromethane; for 3h; Ambient temperature;

Reference yield: 83.0%

4-chlorophenyl acetate (876-27-7) + (rac,E)-5-methylhex-3-en-2-ol (146513-95-3,146560-03-4,93399-99-6) → (E)-4-isopropylbut-3-en-2-one (1669-43-8,5166-53-0,1821-29-0) + 5-Methyl-2-hexanone (110-12-3) + (R,E)-5-methylhex-3-en-2-yl acetate

Guidance literature:

With RuCl₃H(p-cymene)2; immobilized lipase from Pseudomonas cepacia; triethylamine; In dichloromethane; at 20 - 25 ℃; for 48h; Enzymatic reaction;

DOI:10.1021/ol006159y

upstream raw materials:

5-methyl-3-hexene-2-one

Downstream raw materials:

(E)-5-methylhex-3-en-2-yl N-phenylcarbamate

E-5-methyl-3-hexen-2-yl p-nitrobenzoate

(E)-4-isopropylbut-3-en-2-one

5-Methyl-2-hexanone