3-(4-Methoxyphenyl)-2-methyl-1-propene

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)-2-methyl-1-propene
• CAS No.: 20849-82-5
• Molecular Formula: C11H14O
• Molecular Weight: 162.232
• Hs Code.: 2909309090
• ChEMBL ID: CHEMBL451352
• DSSTox Substance ID: DTXSID70566345
• Nikkaji Number: J2.290.570H
• Wikidata: Q82451930
• Mol file: 20849-82-5.mol

Synonyms:3-(4-METHOXYPHENYL)-2-METHYL-1-PROPENE;20849-82-5;1-methoxy-4-(2-methylprop-2-enyl)benzene;MFCD07698654;1-Methoxy-4-(2-methylprop-2-en-1-yl)benzene;1-methoxy-4-(2-methylallyl)benzene;CHEMBL451352;DTXSID70566345;AKOS006284620;Benzene, 1-methoxy-4-(2-methyl-2-propen-1-yl)-

Chemical Property of 3-(4-Methoxyphenyl)-2-methyl-1-propene

Chemical Property:

• Vapor Pressure: 0.102mmHg at 25°C
• Boiling Point: 229.9oC at 760 mmHg
• Flash Point: 84.9oC
• 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: 143

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Methoxyphenyl)-2-methyl-1-propene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-(4-Methoxyphenyl)-2-methyl-1-propene

There total 20 articles about 3-(4-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: 98.0%

4-chloromethoxybenzene (623-12-1) + 2,5-dimethyl-3-(1-methylethyl)-5-hexen-3-ol (107035-97-2) → 1-methoxy-4-(2-methylallyl)benzene (20849-82-5)

Guidance literature:

With caesium carbonate; tricyclohexylphosphine; palladium diacetate; In N,N-dimethyl-formamide; toluene; at 250 ℃; for 0.25h; microwave irradiation;

DOI:10.1016/j.tet.2007.03.165

Reference yield: 97.0%

4-methoxyphenylboronic acid (5720-07-0) + 3-hydroxy-2-methyl-1-propene (513-42-8) → 1-methoxy-4-(2-methylallyl)benzene (20849-82-5)

Guidance literature:

With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; at 120 ℃; for 1h; Temperature; Time; Microwave irradiation;

DOI:10.3390/molecules201219886

Reference yield: 96.0%

C18H21NO4S2 (1333226-27-9) + 4-methoxyphenyl magnesium bromide (13139-86-1) → 1-methoxy-4-(2-methylallyl)benzene (20849-82-5)

Guidance literature:

With copper(l) iodide; In tetrahydrofuran; at 70 ℃; for 1h; regioselective reaction; Inert atmosphere;

DOI:10.1002/adsc.201100285

upstream raw materials:

1-bromo-4-methoxy-benzene

3-Chloro-2-methylpropene

4-methoxyphenyl magnesium bromide

2-Methyl-2-chlor-3-<4-methoxy-phenyl>-propan

Downstream raw materials:

(+/-)-2-methyl-3-(p-methoxyphenyl)propanol

1-methoxy-4-(2-methyl-1-propenyl)benzene

Refernces

• 1、 Zhao, Kuo,Knowles, Robert R.. "Contra-Thermodynamic Positional Isomerization of Olefins". supporting information. p. 137 - 144. Retrieved 2022/01/19.
• 2、 Bagal, Dattatraya B.,Kachkovskyi, Georgiy,Knorn, Matthias,Rawner, Thomas,Bhanage, Bhalchandra M.,Reiser, Oliver. "Trifluoromethylchlorosulfonylation of alkenes: Evidence for an inner-sphere mechanism by a copper phenanthroline photoredox catalyst". supporting information. p. 6999 - 7002. Retrieved 2015/06/08.