2-Ethyl-1,3,5-trimethoxybenzene

Base Information

• Chemical Name: 2-Ethyl-1,3,5-trimethoxybenzene
• CAS No.: 67827-55-8
• Molecular Formula: C11H16O3
• Molecular Weight: 196.246
• DSSTox Substance ID: DTXSID1070644
• Nikkaji Number: J429.639G
• Wikidata: Q81998021
• Mol file: 67827-55-8.mol

Synonyms:2-Ethyl-1,3,5-trimethoxybenzene;67827-55-8;1,3,5-Trimethoxy-2-ethylbenzene;Ethylphloroglucinol trimethyl ether;Benzene, 2-ethyl-1,3,5-trimethoxy-;SCHEMBL5185794;DTXSID1070644

Chemical Property of 2-Ethyl-1,3,5-trimethoxybenzene

Chemical Property:

• Vapor Pressure: 0.00835mmHg at 25°C
• Boiling Point: 275.9°Cat760mmHg
• Flash Point: 91.2°C
• PSA: 27.69000
• Density: 1.01g/cm³
• LogP: 2.27480
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 196.109944368
• Heavy Atom Count: 14
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C=C(C=C1OC)OC)OC

Technology Process of 2-Ethyl-1,3,5-trimethoxybenzene

There total 8 articles about 2-Ethyl-1,3,5-trimethoxybenzene 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: 99.0%

1,2,3-trimethoxybenzene (621-23-8) + ethyl acetate (141-78-6) → 1-ethyl-2,4,6-trimethoxybenzene (67827-55-8)

Guidance literature:

With dimethylethylsilane; (μ3,η2,η3,η5-acenaphthylene)Ru3(CO)7; at 20 ℃; for 5h; Inert atmosphere; Neat (no solvent);

DOI:10.1016/j.tet.2011.08.033

Reference yield:

→ 1-ethyl-2,4,6-trimethoxybenzene (67827-55-8)

Guidance literature:

With ethanol; sodium; nachfolgend Methylierung mit Dimethylsulfat;

Reference yield:

1,2,3-trimethoxybenzene (621-23-8) → 1-ethyl-2,4,6-trimethoxybenzene (67827-55-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) n-BuLi / 1.) ether, hexane, reflux, 24 h, 2.) ether, hexane, reflux, 12 h

2: 88 percent / Ph₃P, CBr₄ / acetonitrile / 2 h / Ambient temperature

3: 1.) Mg, 2.) sat. aq. NH₄Cl / 1.) THF, reflux, 3 h

With n-butyllithium; carbon tetrabromide; ammonium chloride; magnesium; triphenylphosphine; In acetonitrile;

DOI:10.1021/jo00382a018

upstream raw materials:

2,2,2-trichloro-1-(2,4,6-trimethoxy-phenyl)-ethanone

1-(2,4,6-trimethoxyphenyl)ethanone

(+-)-camphenilone

2-(2,4,6-trimethoxyphenyl)ethyl bromide

Downstream raw materials:

2-ethyl-3,5-dimethoxyphenol

4-ethyl-3,5-dimethoxy-phenol

3-ethyl-2,4,6,3',4'-pentamethoxy-benzophenone