3-(3-Methoxyphenyl)-2-methyl-1-propene

Base Information

• Chemical Name: 3-(3-Methoxyphenyl)-2-methyl-1-propene
• CAS No.: 68383-29-9
• Molecular Formula: C11H14O
• Molecular Weight: 162.232
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID00606506
• Wikidata: Q82505297
• Mol file: 68383-29-9.mol

Synonyms:3-(3-METHOXYPHENYL)-2-METHYL-1-PROPENE;68383-29-9;1-methoxy-3-(2-methylprop-2-enyl)benzene;1-Methoxy-3-(2-methylprop-2-en-1-yl)benzene;MFCD07698648;1-methoxy-3-(2-methylallyl)benzene;SCHEMBL11559086;DTXSID00606506;AKOS006284372;DB-182686

Chemical Property of 3-(3-Methoxyphenyl)-2-methyl-1-propene

Chemical Property:

• Vapor Pressure: 0.104mmHg at 25°C
• Boiling Point: 229.5°C at 760 mmHg
• Flash Point: 84.8°C
• PSA: 9.23000
• Density: 0.931g/cm³
• LogP: 2.81380
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

3-(3-Methoxyphenyl)-2-methyl-1-propene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(3-Methoxyphenyl)-2-methyl-1-propene

There total 2 articles about 3-(3-Methoxyphenyl)-2-methyl-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: 61.0%

methallyl acetate (820-71-3) + 3-methoxy-1-iodobenzene (766-85-8) → 3,3'-dimethoxybiphenyl (6161-50-8) + 1-methoxy-3-(2-methylallyl)benzene (68383-29-9)

Guidance literature:

methallyl acetate; With indium(III) chloride; N,N-dimethylbutylamine; lithium chloride; indium; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 35 ℃;

3-methoxy-1-iodobenzene; In N,N-dimethyl-formamide; at 100 ℃;

DOI:10.1002/adsc.200404125

Reference yield:

3-methoxyphenyl bromide (2398-37-0) + 3-Chloro-2-methylpropene (563-47-3) → 1-methoxy-3-(2-methylallyl)benzene (68383-29-9)

Guidance literature:

With magnesium; In tetrahydrofuran;

DOI:10.1016/0960-894X(96)00181-3

Reference yield:

1-methoxy-3-(2-methylallyl)benzene (68383-29-9) → C11H14ClIO + C11H14ClIO

Guidance literature:

With N-chloro-succinimide; 1,3-bis(2,6-diisopropylphenyl)-1H-imidazole-2(3H)-thione; iodine; In toluene; at 0 ℃; Overall yield = 96 %; regioselective reaction;

DOI:10.1021/acscatal.8b01565

upstream raw materials:

3-methoxyphenyl bromide

3-Chloro-2-methylpropene

methallyl acetate

3-methoxy-1-iodobenzene

Downstream raw materials:

N-Formyl-3-methoxy-α.α-dimethyl-β-phenethylamin

Refernces

• 1、 Lee, Phil Ho,Seomoon, Dong,Lee, Kooyeon,Kim, Sundae,Kim, Hyunseok,Kim, Hyun,Shim, Eunkyong,Lee, Miae,Lee, Seokju,Kim, Misook,Sridhar, Madabhushi. "Palladium-indium-indium(III) chloride-mediated allyl cross-coupling reactions using allyl acetates". . p. 1641 - 1645. Retrieved 2007/10/03.