3-(3-Methyl-but-3-enyl)-phenol

Base Information

• Chemical Name: 3-(3-Methyl-but-3-enyl)-phenol
• CAS No.: 82615-37-0
• Molecular Formula: C11H14 O
• Molecular Weight: 162.22826
• DSSTox Substance ID: DTXSID80544952
• Wikidata: Q82422265
• Mol file: 82615-37-0.mol

Synonyms:82615-37-0;3-(3-METHYL-BUT-3-ENYL)-PHENOL;3-(3-METHYLBUT-3-EN-1-YL)PHENOL;SCHEMBL10907937;DTXSID80544952;AKOS006289818

Chemical Property of 3-(3-Methyl-but-3-enyl)-phenol

Chemical Property:

• PSA: 20.23000
• LogP: 2.90090
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

3-(3-METHYL-BUT-3-ENYL)-PHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)CCC1=CC(=CC=C1)O

Technology Process of 3-(3-Methyl-but-3-enyl)-phenol

There total 3 articles about 3-(3-Methyl-but-3-enyl)-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:

Trimethyl-[3-(3-methyl-but-3-enyl)-phenoxy]-silane → 3-(3-methyl-3-butenyl)phenol (82615-37-0)

Guidance literature:

With methanol; at 45 ℃;

DOI:10.1021/ja00382a040

Reference yield:

6-methylenebicyclo<3.1.0>hex-3-ene-2-one (71946-85-5) + isobutene (115-11-7,15220-85-6) → 1,1-dimethyl-indan-5-ol (77366-77-9) + 3,3-Dimethyl-indan-4-ol (82615-36-9) + 3-(3-methyl-3-butenyl)phenol (82615-37-0)

Guidance literature:

In benzene; at 110 ℃; Yield given. Yields of byproduct given; photochemical reaction is possible;

DOI:10.1021/ja00382a040

Reference yield:

3-methyl-phenol (108-39-4) + 3-Chloro-2-methylpropene (563-47-3) → 3-(3-methyl-3-butenyl)phenol (82615-37-0)

Guidance literature:

With n-butyllithium; potassium tert-butylate; Yield given. Multistep reaction; 1.) hexan, reflux, 3 h, 2.) THF;

DOI:10.1021/jo00359a010

upstream raw materials:

3-methyl-phenol

3-Chloro-2-methylpropene

6-methylenebicyclo<3.1.0>hex-3-ene-2-one

isobutene