4,6-Dimethylhept-1-en-4-ol

Base Information

• Chemical Name: 4,6-Dimethylhept-1-en-4-ol
• CAS No.: 32189-75-6
• Molecular Formula: C9H18 O
• Molecular Weight: 142.241
• Hs Code.: 2905290000
• DSSTox Substance ID: DTXSID10499284
• Nikkaji Number: J2.268.256C
• Mol file: 32189-75-6.mol

Synonyms:4,6-Dimethylhept-1-en-4-ol;32189-75-6;4,6-DIMETHYL-1-HEPTEN-4-OL;SCHEMBL11856180;DTXSID10499284

Chemical Property of 4,6-Dimethylhept-1-en-4-ol

Chemical Property:

• PSA: 20.23000
• LogP: 2.35960
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 142.135765193
• Heavy Atom Count: 10
• Complexity: 107

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C)(CC=C)O

Technology Process of 4,6-Dimethylhept-1-en-4-ol

There total 10 articles about 4,6-Dimethylhept-1-en-4-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: 99.0%

4-methyl-2-pentanone (108-10-1) + allylmagnesium bromide (1730-25-2) → 2,4-dimethyl-6-hepten-4-ol (32189-75-6) + dec-1-en-4-ol (36971-14-9)

Guidance literature:

With heptanal; In diethyl ether; dichloromethane; for 14h; -70 to 20 deg C in 14 h;

Reference yield: 91.0%

allyl bromide (106-95-6) + 4-methyl-2-pentanone (108-10-1) → 2,4-dimethyl-6-hepten-4-ol (32189-75-6)

Guidance literature:

allyl bromide; 4-methyl-2-pentanone; With tin; at 20 ℃; for 24h; Ionic liquid;

With water; Ionic liquid;

DOI:10.1016/j.tetlet.2011.07.095

Reference yield: 84.0%

allyldioxazaborolidine (115345-15-8) + 4-methyl-2-pentanone (108-10-1) → 2,4-dimethyl-6-hepten-4-ol (32189-75-6)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃;

DOI:10.1021/ol1020515

upstream raw materials:

allyl bromide

4-methyl-2-pentanone

allyl iodid

allyllithium

Downstream raw materials:

2,4-dimethyl-heptan-4-ol

(C₄H₉)3SnOC(CH₃)(i-C₄H₉)CH₂CHCH₂

allyltributylstanane