3-(3,5-Dimethyl-4-methoxyphenyl)-1-propene

Base Information

• Chemical Name: 3-(3,5-Dimethyl-4-methoxyphenyl)-1-propene
• CAS No.: 53483-16-2
• Molecular Formula: C12H16O
• Molecular Weight: 176.258
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID20498162
• Nikkaji Number: J3.108.513F
• Mol file: 53483-16-2.mol

Synonyms:3-(3,5-DIMETHYL-4-METHOXYPHENYL)-1-PROPENE;53483-16-2;2-methoxy-1,3-dimethyl-5-prop-2-enylbenzene;2-Methoxy-1,3-dimethyl-5-(prop-2-en-1-yl)benzene;MFCD09801270;SCHEMBL8965460;DTXSID20498162;AKOS006326521;5-Allyl-2-methoxy-1,3-dimethylbenzene

Chemical Property of 3-(3,5-Dimethyl-4-methoxyphenyl)-1-propene

Chemical Property:

• Vapor Pressure: 0.0566mmHg at 25°C
• Boiling Point: 241.1oC at 760 mmHg
• Flash Point: 90oC
• PSA: 9.23000
• Density: 0.925g/cm3
• LogP: 3.04050
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 153

Purity/Quality:

97% ^*data from raw suppliers

3-(3,5-Dimethyl-4-methoxyphenyl)-1-propene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1OC)C)CC=C

Technology Process of 3-(3,5-Dimethyl-4-methoxyphenyl)-1-propene

There total 3 articles about 3-(3,5-Dimethyl-4-methoxyphenyl)-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: 95.0%

1-allyloxy-2,6-dimethylbenzene (15261-41-3) → 4-allyl-2,6-dimethylphenyl methyl ether (53483-16-2)

Guidance literature:

1-allyloxy-2,6-dimethylbenzene; at 200 ℃; for 15h;

With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Inert atmosphere;

With methyl iodide; In tetrahydrofuran; at 80 ℃; for 15h; Inert atmosphere;

DOI:10.1021/jo301155p

Reference yield:

2.6-dimethylphenol (576-26-1,25134-01-4) → 4-allyl-2,6-dimethylphenyl methyl ether (53483-16-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate / acetone / 15 h / 65 °C

2.1: 15 h / 200 °C

2.2: 1 h / 0 - 20 °C / Inert atmosphere

2.3: 15 h / 80 °C / Inert atmosphere

With potassium carbonate; In acetone;

DOI:10.1021/jo301155p

Reference yield:

→ 4-allyl-2,6-dimethylphenyl methyl ether (53483-16-2)

Guidance literature:

Herstellung von 4-<3-¹⁴C>-Allyl-2,6-dimethyl-anisol;

DOI:10.1002/hlca.19530360218 DOI:10.1021/ja01143a013 DOI:10.1002/hlca.19560390228

upstream raw materials:

2.6-dimethylphenol

1-allyloxy-2,6-dimethylbenzene

Downstream raw materials:

(2S,3aR,4R,5R,6R)-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]-2-(4-methoxy-3,5-dimethylbenzyl)-hexahydropyrrolo[1,2-b]-isoxazole

(E)-dimethyl 2-(3-(4-methoxy-3,5-dimethylphenyl)allyl)-2-(trifluoromethyl)malonate

2,6-dimethyl-4-(prop-1-en-1-yl)phenol

(E)-2-methoxy-1,3-dimethyl-5-(prop-1-en-1-yl)benzene