2,2-Dimethylpent-4-en-1-ol

Base Information

• Chemical Name: 2,2-Dimethylpent-4-en-1-ol
• CAS No.: 3420-42-6
• Molecular Formula: C7H14O
• Molecular Weight: 114.188
• Hs Code.: 2905290000
• European Community (EC) Number: 837-123-1
• DSSTox Substance ID: DTXSID50444238
• Nikkaji Number: J1.145.103I
• Wikidata: Q82262322
• Mol file: 3420-42-6.mol

Synonyms:2,2-dimethylpent-4-en-1-ol;3420-42-6;2,2-Dimethyl-4-penten-1-ol;4-PENTEN-1-OL, 2,2-DIMETHYL-;SCHEMBL629318;2,2-Dimethyl-4-pentene-1-ol;2,2-Dimethyl-pent-4-en-1-ol;DTXSID50444238;XFZHDXOKFDBPRE-UHFFFAOYSA-N;2,2-dimethyl-pent-4-enyl alcohol;MFCD11055010;AKOS016005460;SB84135;EN300-85335;F2147-6070;Z1255384026

Chemical Property of 2,2-Dimethylpent-4-en-1-ol

Chemical Property:

• Vapor Pressure: 1.032mmHg at 25°C
• Boiling Point: 156.63°C at 760 mmHg
• PKA: 15.15±0.10(Predicted)
• Flash Point: 56.52°C
• PSA: 20.23000
• Density: 0.835g/cm³
• LogP: 1.58100
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 114.104465066
• Heavy Atom Count: 8
• Complexity: 74.5

Purity/Quality:

97% ^*data from raw suppliers

2,2-Dimethylpent-4-en-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CC=C)CO

Technology Process of 2,2-Dimethylpent-4-en-1-ol

There total 8 articles about 2,2-Dimethylpent-4-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: 100.0%

methyl 2,2-dimethyl-4-pentenoate (76352-72-2) → 2,2-dimethylpent-4-en-1-ol (3420-42-6)

Guidance literature:

With methanol; lithium borohydride; at 22 ℃; for 2h;

Reference yield: 99.0%

2,2-dimethyl-4-pentenal (5497-67-6) → 2,2-dimethylpent-4-en-1-ol (3420-42-6)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 3h; Heating;

DOI:10.1016/S0040-4020(01)87743-7

Reference yield: 91.0%

2,2-dimethylpent-4-enoic acid (16386-93-9) → 2,2-dimethylpent-4-en-1-ol (3420-42-6)

Guidance literature:

2,2-dimethylpent-4-enoic acid; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃;

With sodium hydroxide; water; In tetrahydrofuran;

upstream raw materials:

2,2-dimethyl-4-pentenal

Dimethyldisulphide

2,2-dimethylpent-4-en-1-yl methanesulfonate

2,2-dimethylpent-4-enoic acid

Downstream raw materials:

2,2-dimethylpentanol

1-(2,2-Dimethyl-pent-4-enyloxy)-4-nitro-benzene

4,4-dimethyl-1-penten-5-ol tosylate

2,2-dimethyl-4-pentenal