2,4,4-Trimethylpent-1-en-3-ol

Base Information

• Chemical Name: 2,4,4-Trimethylpent-1-en-3-ol
• CAS No.: 7432-48-6
• Molecular Formula: C8H16O
• Molecular Weight: 128.214
• DSSTox Substance ID: DTXSID10513696
• Nikkaji Number: J861.778C

Synonyms:2,4,4-Trimethylpent-1-en-3-ol;7432-48-6;1-Penten-3-ol, 2,4,4-trimethyl-;2,4,4-Trimethyl-1-penten-3-ol;SCHEMBL12370949;DTXSID10513696;AKOS017729349;BEA3_000116

Chemical Property of 2,4,4-Trimethylpent-1-en-3-ol

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 108

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C(C(C)(C)C)O

Technology Process of 2,4,4-Trimethylpent-1-en-3-ol

There total 3 articles about 2,4,4-Trimethylpent-1-en-3-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:

2,4,4-trimethyl-1-pentene (107-39-1) → (2E)-2,4,4-trimethylpent-2-en-1-ol (51483-32-0) + 2-Methylol-4,4-dimethylpent-1-en (4379-17-3) + 4.4-Dimethyl-2-pentanol (6144-93-0) + 2,4,4-trimethyl-2-pentanol (690-37-9) + 1,2-Dihydroxy-2,4,4-trimethylpentan (64484-85-1) + 2,5,5-trimethyl-1-penten-3-ol (7432-48-6)

Guidance literature:

With lithium aluminium tetrahydride; oxygen; Product distribution; multistep reaction: 1) 85 deg C, 101,3 kPa, 67 h;

Reference yield:

2,3-epoxy-2,4,4-trimethylpentane (96-06-0) → 2,2,4-trimethyl-3-pentanol (5162-48-1) + 2,2,3,3-tetramethylbutan-1-ol (66576-24-7) + 2,5,5-trimethyl-1-penten-3-ol (7432-48-6)

Guidance literature:

Multistep reaction; (i) LiAlH₄, AlCl₃, Et₂O, (ii) aq. H₂SO₄;

DOI:10.1021/ja01491a020

Reference yield:

2,4,4-trimethylpent-2-ene (107-40-4) → 2,3-epoxy-2,4,4-trimethylpentane (96-06-0) + (2E)-2,4,4-trimethylpent-2-en-1-ol (51483-32-0) + 2,3-Dihydroxy-2,4,4-trimethylpentan (64512-96-5) + 2,5,5-trimethyl-1-penten-3-ol (7432-48-6) + (Z)-2,4,4-Trimethylpent-2-en-1-ol (51483-31-9) + isopropyl alcohol (67-63-0,8013-70-5)

Guidance literature:

With lithium aluminium tetrahydride; oxygen; Product distribution; multistep reaction: 1) 85 deg C, 101,3 kPa, 30 h;

upstream raw materials:

2,3-epoxy-2,4,4-trimethylpentane

2,4,4-trimethyl-1-pentene

2,4,4-trimethylpent-2-ene

Downstream raw materials:

2,2,4-trimethyl-3-pentanol

1,2-epoxy-2,4,4-trimethyl-pentan-3-ol

2,3-dimethyl-2,3-butane diol

((2S,3S)-3-tert-Butyl-2-methyl-oxiranyl)-methanol

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