5-(2,6-Dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene

Base Information

• Chemical Name: 5-(2,6-Dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene
• CAS No.: 10181-98-3
• Molecular Formula: C₁₇H₂₀O₂
• Molecular Weight: 256.345
• NSC Number: 128396
• DSSTox Substance ID: DTXSID10299145
• Nikkaji Number: J998.996J
• Wikidata: Q82041363
• Mol file: 10181-98-3.mol

Synonyms:5-(2,6-dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene;10181-98-3;NSC128396;SCHEMBL12585926;DTXSID10299145;RFOJONLITNOXBI-UHFFFAOYSA-N;NSC-128396;Benzene, 5-(2,6-dimethylphenoxy)-2-methoxy-1,3-dimethyl-

Chemical Property of 5-(2,6-Dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene

Chemical Property:

• Vapor Pressure: 0.000217mmHg at 25°C
• Boiling Point: 336.6°Cat760mmHg
• Flash Point: 119.3°C
• Density: 1.028g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 256.146329876
• Heavy Atom Count: 19
• Complexity: 256

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)OC2=CC(=C(C(=C2)C)OC)C

Technology Process of 5-(2,6-Dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene

There total 10 articles about 5-(2,6-Dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene 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:

2.6-dimethylphenol (576-26-1,25134-01-4) + 5-bromo-2-methoxy-1,3-dimethylbenzene (14804-38-7) → 5-(2,6-dimethyl-phenoxy)-2-methoxy-1,3-dimethyl-benzene (10181-98-3)

Guidance literature:

With copper; at 235 ℃;

DOI:10.1021/jo01129a014

Reference yield:

4-amino-2,6-dimethylanisole (39785-37-0) → 5-(2,6-dimethyl-phenoxy)-2-methoxy-1,3-dimethyl-benzene (10181-98-3)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous H₂SO₄; NaNO₂ / Eintragen der Reaktionsloesung in siedende wss. HBr unter Zusatz von Cu₂O

2: copper-powder / 235 °C

With sulfuric acid; copper; sodium nitrite;

DOI:10.1021/jo01129a014

Reference yield:

2-methoxy-1,3-dimethylbenzene (1004-66-6) → 5-(2,6-dimethyl-phenoxy)-2-methoxy-1,3-dimethyl-benzene (10181-98-3)

Guidance literature:

Multi-step reaction with 4 steps

1: HNO₃; acetic acid anhydride

2: Raney nickel; diethyl ether / Hydrogenation

3: aqueous H₂SO₄; NaNO₂ / Eintragen der Reaktionsloesung in siedende wss. HBr unter Zusatz von Cu₂O

4: copper-powder / 235 °C

With diethyl ether; sulfuric acid; nitric acid; acetic anhydride; nickel; copper; sodium nitrite;

DOI:10.1021/jo01129a014

upstream raw materials:

2.6-dimethylphenol

5-bromo-2-methoxy-1,3-dimethylbenzene

5-iodo-2-methoxy-1,3-dimethylbenzene

2-methoxy-1,3-dimethylbenzene

Downstream raw materials:

2-bromo-1-(2,6-dimethyl-phenoxy)-4-methoxy-3,5-dimethyl-benzene

1-(2,6-dimethyl-phenoxy)-4-methoxy-3,5-dimethyl-2-nitro-benzene

4-(2,6-Dimethylphenoxy)-1,2,6-trimethylbenzol

6-(2,6-dimethyl-phenoxy)-3-methoxy-2,4-dimethyl-aniline