Santolina triene

Base Information

• Chemical Name: Santolina triene
• CAS No.: 2153-66-4
• Molecular Formula: C10H16
• Molecular Weight: 136.237
• DSSTox Substance ID: DTXSID90880656
• Nikkaji Number: J37.621C
• Wikidata: Q27162243
• Mol file: 2153-66-4.mol

Synonyms:Santolina triene;2153-66-4;2,5-Dimethyl-3-vinyl-1,4-hexadiene;Santolinatriene;3-ethenyl-2,5-dimethylhexa-1,4-diene;1,4-Hexadiene,3-ethenyl-2,5-dimethyl-;CHEBI:90018;DTXSID90880656;2,5-Dimethyl-3-vinyl-1,4-hexadiene #;Q27162243

Chemical Property of Santolina triene

Chemical Property:

• Boiling Point: 166.6±20.0 °C(Predicted)
• PSA: 0.00000
• Density: 0.767±0.06 g/cm3(Predicted)
• LogP: 3.33090
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 136.125200510
• Heavy Atom Count: 10
• Complexity: 157

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Santolina triene

There total 7 articles about Santolina triene 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:

trans-chrysanthemyl alcohol (2861-25-8,2861-26-9,5617-92-5,18383-58-9,18383-59-0,32989-74-5,52153-04-5,76704-87-5,78780-10-6) → 2,5-dimethyl-3-vinyl-1,4-hexadiene (2153-66-4)

Guidance literature:

Multi-step reaction with 3 steps

1: CrO₃*2Py

2: methanol

3: (i) NaOMe, MeOH, (ii) (heating in diethyleneglycol)

With dipyridine chromium trioxide; In methanol;

DOI:10.1021/jo00963a001

Reference yield:

5-methyl-2,4-hexadienal (17424-21-4,54716-15-3,4303-56-4) → 2,5-dimethyl-3-vinyl-1,4-hexadiene (2153-66-4)

Guidance literature:

Multi-step reaction with 4 steps

1: NaBH₄

2: xylene

3: LiAlH₄ / diethyl ether

4: (i) aq. H₂O₂, MeOH, (ii) (heating)

With sodium tetrahydroborate; lithium aluminium tetrahydride; In diethyl ether; xylene;

Reference yield:

5-methyl-2,4-hexadien-1-ol (79507-91-8) → 2,5-dimethyl-3-vinyl-1,4-hexadiene (2153-66-4)

Guidance literature:

Multi-step reaction with 3 steps

1: xylene

2: LiAlH₄ / diethyl ether

3: (i) aq. H₂O₂, MeOH, (ii) (heating)

With lithium aluminium tetrahydride; In diethyl ether; xylene;

upstream raw materials:

2,2-dimethyl-3t-(2-methyl-propenyl)-cyclopropane-r-carbaldehyde (toluene-4-sulfonyl)-hydrazone

trans-chrysanthemyl alcohol

trans-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl carboxaldehyde

5-methyl-2,4-hexadienal