2,2-Dimethylhex-5-en-1-ol

Base Information

• Chemical Name: 2,2-Dimethylhex-5-en-1-ol
• CAS No.: 56068-50-9
• Molecular Formula: C8H16O
• Molecular Weight: 128.214
• DSSTox Substance ID: DTXSID00437094
• Nikkaji Number: J2.678.630D
• Wikidata: Q72470560
• Mol file: 56068-50-9.mol

Synonyms:2,2-dimethylhex-5-en-1-ol;56068-50-9;SCHEMBL733256;2,2-Dimethyl-5-hexene-1-ol;2,2-dimethyl hex-5-en-1-ol;2,2-Dimethyl-hex-5-en-1-ol;DTXSID00437094;WIYYDFSDWKBPIX-UHFFFAOYSA-N;AKOS015900518;SB84473;CS-0224911;FT-0732598;EN300-1217983;N-T-BUTYL-3-METHYLPYRIDINE-2-CARBOXAMIDE;A847754;Q-103482;F2147-6457

Chemical Property of 2,2-Dimethylhex-5-en-1-ol

Chemical Property:

• Vapor Pressure: 0.359mmHg at 25°C
• Refractive Index: 1.439
• Boiling Point: 175.177 °C at 760 mmHg
• Flash Point: 65.37 °C
• PSA: 20.23000
• Density: 0.837g/cm³
• LogP: 1.97110
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 84.6

Purity/Quality:

97% ^*data from raw suppliers

2,2-Dimethylhex-5-en-1-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCC=C)CO

Technology Process of 2,2-Dimethylhex-5-en-1-ol

There total 8 articles about 2,2-Dimethylhex-5-en-1-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: 97.0%

ethyl 1-but-3-en-1-ylcyclohexanecarboxylate (73062-97-2) → 2,2-dimethylhex-5-en-1-ol (56068-50-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at -78 - 0 ℃; for 1.33333h;

DOI:10.1021/ja054085l

Reference yield: 97.0%

methyl 2,2-dimethyl-5-hexenoate (252206-21-6) → 2,2-dimethylhex-5-en-1-ol (56068-50-9)

Guidance literature:

With lithium aluminium hydride; In diethyl ether; at 0 ℃; for 1h;

DOI:10.1002/anie.201710895

Reference yield: 84.0%

3,3-dimethyloxetane (6921-35-3) + allylmagnesium bromide (2622-05-1) → 2,2-dimethylhex-5-en-1-ol (56068-50-9)

Guidance literature:

With TETRAHYDROPYRANE; at 120 ℃; for 0.5h; Inert atmosphere; Microwave irradiation;

DOI:10.1016/j.tet.2014.05.026

upstream raw materials:

ethyl 1-but-3-en-1-ylcyclohexanecarboxylate

2,2-dimethylhex-5-en-1-al

3,3-dimethyloxetane

allyl bromide

Downstream raw materials:

methyl (1R,21S,24S)-21-tert-butyl-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.1(4,7).0(6,11)]heptacosa-6,8,10-triene-24-carboxylate

C₃₀H₄₃N₃O₇

C₁₂H₂₃N*C₁₅H₂₇NO₄

C₁₈H₃₁NO₄