3-(4-Methoxy-2-methylphenyl)-1-propene

Base Information

• Chemical Name: 3-(4-Methoxy-2-methylphenyl)-1-propene
• CAS No.: 16964-10-6
• Molecular Formula: C11H14O
• Molecular Weight: 162.232
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID80601690
• Nikkaji Number: J2.128.728H
• Wikidata: Q82498480
• Mol file: 16964-10-6.mol

Synonyms:3-(4-METHOXY-2-METHYLPHENYL)-1-PROPENE;16964-10-6;4-methoxy-2-methyl-1-prop-2-enylbenzene;MFCD07775075;4-Methoxy-2-methyl-1-(prop-2-en-1-yl)benzene;1-allyl-4-methoxy-2-methylbenzene;3-methyl-4-allylanisole;SCHEMBL8964600;DTXSID80601690;AKOS006287309;DB-182744

Chemical Property of 3-(4-Methoxy-2-methylphenyl)-1-propene

Chemical Property:

• Vapor Pressure: 0.0678mmHg at 25°C
• Boiling Point: 237.7oC at 760 mmHg
• Flash Point: 88.5oC
• PSA: 9.23000
• Density: 0.931g/cm3
• LogP: 2.73210
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Methoxy-2-methylphenyl)-1-propene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)OC)CC=C

Technology Process of 3-(4-Methoxy-2-methylphenyl)-1-propene

There total 3 articles about 3-(4-Methoxy-2-methylphenyl)-1-propene 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: 97.0%

4-bromo-3-methylanisole (27060-75-9) + allyltributylstanane (24850-33-7) → 1-allyl-4-methoxy-2-methylbenzene (16964-10-6)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; 2,8,9-tribenzyl-2,3,8,9-tetraaza-1-phosphabicyclo[3,3,3]undecane; cesium fluoride; In tetrahydrofuran; at 20 ℃; for 14h;

DOI:10.1021/ja0450096

Reference yield: 70.0%

allyl bromide (106-95-6) + 4-methoxy-2-methylphenyl boronic acid (208399-66-0) → 1-allyl-4-methoxy-2-methylbenzene (16964-10-6)

Guidance literature:

With dichloro(N-(diphenylphosphino)-N-isopropyl-1,1-diphenylphosphinamine) digold(I); caesium carbonate; In acetonitrile; at 65 ℃; for 18h; chemoselective reaction;

DOI:10.1002/anie.201402924

Reference yield:

→ 1-allyl-4-methoxy-2-methylbenzene (16964-10-6)

Guidance literature:

/BRN= 2437617/;

upstream raw materials:

4-bromo-3-methylanisole

allyltributylstanane

allyl bromide

4-methoxy-2-methylphenyl boronic acid

Downstream raw materials:

4-methoxy-2-methylphenylacetic acid

5-methoxy-o-toluic acid

d'acide methoxy-5' methyl-2' phenyl acetique