2,6-Dimethyl-4-(3-phenylpropyl)phenol

Base Information

• Chemical Name: 2,6-Dimethyl-4-(3-phenylpropyl)phenol
• CAS No.: 127311-26-6
• Molecular Formula: C₁₇H₂₀O
• Molecular Weight: 240.345
• DSSTox Substance ID: DTXSID80562176
• Nikkaji Number: J496.033E
• Wikidata: Q82446217
• Mol file: 127311-26-6.mol

Synonyms:2,6-Dimethyl-4-(3-phenylpropyl)phenol;127311-26-6;DTXSID80562176

Chemical Property of 2,6-Dimethyl-4-(3-phenylpropyl)phenol

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 240.151415257
• Heavy Atom Count: 18
• Complexity: 220

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1O)C)CCCC2=CC=CC=C2

Technology Process of 2,6-Dimethyl-4-(3-phenylpropyl)phenol

There total 3 articles about 2,6-Dimethyl-4-(3-phenylpropyl)phenol 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:

1-(3,5-dimethyl-4-hydroxyphenyl)-3-phenylpropanol (143682-76-2) → 2,6-dimethyl-4-(3-phenylpropyl)phenol (127311-26-6)

Guidance literature:

With lithium aluminium tetrahydride; trimethylsilyl bromide; Yield given. Multistep reaction; 1) THF, 10 min, 2) 0 deg C, 30 min;

DOI:10.1021/jo00048a029

Reference yield:

3-phenyl-propionaldehyde (104-53-0) → 2,6-dimethyl-4-(3-phenylpropyl)phenol (127311-26-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) t-BuLi / 1) THF, pentane, -78 deg C, 2) 0 deg C, 25 min

2: 1) Me₃SiBr, 2) LiAlH₄ / 1) THF, 10 min, 2) 0 deg C, 30 min

With lithium aluminium tetrahydride; trimethylsilyl bromide; tert.-butyl lithium;

DOI:10.1021/jo00048a029

Reference yield:

4-bromo-2,6-dimethyl-phenol (2374-05-2) → 2,6-dimethyl-4-(3-phenylpropyl)phenol (127311-26-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) t-BuLi / 1) THF, pentane, -78 deg C, 2) 0 deg C, 25 min

2: 1) Me₃SiBr, 2) LiAlH₄ / 1) THF, 10 min, 2) 0 deg C, 30 min

With lithium aluminium tetrahydride; trimethylsilyl bromide; tert.-butyl lithium;

DOI:10.1021/jo00048a029

upstream raw materials:

1-(3,5-dimethyl-4-hydroxyphenyl)-3-phenylpropanol

3-phenyl-propionaldehyde

4-bromo-2,6-dimethyl-phenol

Downstream raw materials:

1-(4-hydroxy-3,5-dimethylphenyl)-3-phenylpropan-1-one

(1R*,2S*,3R*)-6-hydroxy-1-(4-hydroxyphenyl)-2,5,7-trimethyl-3-(2-phenylethyl)-2,3-dihydroindene

(1S*,2S*,3R*)-6-hydroxy-1-(4-hydroxyphenyl)-2,5,7-trimethyl-3-(2-phenylethyl)-2,3-dihydroindene

2,6-Dimethyl-4-<(3-phenyl)propylidene>-2,5-cyclohexadien-1-one

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