4-(2,2-Dimethoxyethyl)phenol

Base Information

• Chemical Name: 4-(2,2-Dimethoxyethyl)phenol
• CAS No.: 74447-40-8
• Molecular Formula: C10H14O3
• Molecular Weight: 182.219
• DSSTox Substance ID: DTXSID00598497
• Wikidata: Q82494264
• Mol file: 74447-40-8.mol

Synonyms:4-(2,2-dimethoxyethyl)phenol;74447-40-8;4-(2,2-Dimethoxy-ethyl)-phenol;Phenol,4-(2,2-dimethoxyethyl)-;SCHEMBL9260666;DTXSID00598497;VQEKICSZPWLCNF-UHFFFAOYSA-N;4-((2,2-dimethoxy)ethyl)phenol;AKOS006276099

Chemical Property of 4-(2,2-Dimethoxyethyl)phenol

Chemical Property:

• Boiling Point: 257.5 °C at 760 mmHg
• Flash Point: 109.6 °C
• PSA: 38.69000
• Density: 1.092 g/cm³
• LogP: 1.55360
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 182.094294304
• Heavy Atom Count: 13
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(2,2-Dimethoxyethyl)phenol

There total 5 articles about 4-(2,2-Dimethoxyethyl)phenol 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:

4-benzyloxybenzyl alcohol (836-43-1) → 2-(4-hydroxyphenyl)-1,1-dimethoxyethane (74447-40-8)

Guidance literature:

Multi-step reaction with 4 steps

1: 3.1 g / thionyl chloride / diethyl ether / 2 h / Heating

2: 4.2 g / n-butyl-lithium / hexane; tetrahydrofuran / 1.) -23 deg C, 1.5 h, 2.) 0 deg C, 14 h

3: 3.6 g / mercuric oxide, mercuric chloride / acetonitrile / 6 h / Heating

4: 1.) Raney nickel, 2.) hydrogen / 2.) palladium on charcoal / 1.) ethanol, reflux, 15 - 20 min, 2.) methanol,

With n-butyllithium; thionyl chloride; hydrogen; nickel; mercury dichloride; mercury(II) oxide; palladium on activated charcoal; In tetrahydrofuran; diethyl ether; hexane; acetonitrile;

Reference yield:

2-(4-benzyloxybenzyl)-1,3-dithian (74447-42-0) → 2-(4-hydroxyphenyl)-1,1-dimethoxyethane (74447-40-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 3.6 g / mercuric oxide, mercuric chloride / acetonitrile / 6 h / Heating

2: 1.) Raney nickel, 2.) hydrogen / 2.) palladium on charcoal / 1.) ethanol, reflux, 15 - 20 min, 2.) methanol,

With hydrogen; nickel; mercury dichloride; mercury(II) oxide; palladium on activated charcoal; In acetonitrile;

Reference yield:

4-benzyloxybenzyl chloride (836-42-0) → 2-(4-hydroxyphenyl)-1,1-dimethoxyethane (74447-40-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 4.2 g / n-butyl-lithium / hexane; tetrahydrofuran / 1.) -23 deg C, 1.5 h, 2.) 0 deg C, 14 h

2: 3.6 g / mercuric oxide, mercuric chloride / acetonitrile / 6 h / Heating

3: 1.) Raney nickel, 2.) hydrogen / 2.) palladium on charcoal / 1.) ethanol, reflux, 15 - 20 min, 2.) methanol,

With n-butyllithium; hydrogen; nickel; mercury dichloride; mercury(II) oxide; palladium on activated charcoal; In tetrahydrofuran; hexane; acetonitrile;

upstream raw materials:

2-(4-benzyloxyphenyl)-1,1-dimethoxyethane

4-benzyloxybenzyl alcohol

2-(4-benzyloxybenzyl)-1,3-dithian

4-benzyloxybenzyl chloride

Downstream raw materials:

1,1-dimethoxy-2-(4-methylsulphonyloxyphenyl)ethane

4-((2,2-dimethoxy)ethyl)-1-((2E)-2-methyl-7-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-heptenyloxy)benzene

(1R)-2-(4-methoxysulphonyloxyphenyl)<1-(3)H1>ethanol

(1R)-2-(4-methylsulphonyloxyphenyl)<1-(2)H1>ethanol