2-[(Diethylamino)methyl]-3,6-dimethylphenol

Base Information

• Chemical Name: 2-[(Diethylamino)methyl]-3,6-dimethylphenol
• CAS No.: 6630-03-1
• Molecular Formula: C13H21 N O
• Molecular Weight: 207.316
• European Community (EC) Number: 661-026-1
• NSC Number: 60006
• DSSTox Substance ID: DTXSID60289258
• Nikkaji Number: J891.651I
• Wikidata: Q82026481
• Mol file: 6630-03-1.mol

Synonyms:2-[(diethylamino)methyl]-3,6-dimethylphenol;6630-03-1;NSC60006;DTXSID60289258;NSC-60006;AKOS024325186

Chemical Property of 2-[(Diethylamino)methyl]-3,6-dimethylphenol

Chemical Property:

• Vapor Pressure: 0.0012mmHg at 25°C
• Boiling Point: 290.3°C at 760 mmHg
• Flash Point: 112.9°C
• Density: 0.987g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 207.162314293
• Heavy Atom Count: 15
• Complexity: 179

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CC1=C(C=CC(=C1O)C)C

Technology Process of 2-[(Diethylamino)methyl]-3,6-dimethylphenol

There total 6 articles about 2-[(Diethylamino)methyl]-3,6-dimethylphenol 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: 66.0%

2,5-Dimethylphenol (95-87-4) + N-(ethoxymethyl)diethylamine (7352-03-6) → 6-(N,N-diethylaminomethyl)-2,5-dimethylphenol (6630-03-1)

Guidance literature:

With sulfur dioxide; In acetonitrile; for 2h; Heating;

DOI:10.1016/S0040-4020(97)00848-X

Reference yield: 42.0%

2,5-Dimethylphenol (95-87-4) + bis-(diethylamino)methane (102-53-4) → 6-(N,N-diethylaminomethyl)-2,5-dimethylphenol (6630-03-1) + 4-(N,N-diethylaminomethyl)-2,5-dimethylphenol (69286-57-3) + 4,6-bis(N,N-diethylaminomethyl)-2,5-dimethylphenol (120983-08-6)

Guidance literature:

With sulfur dioxide; In acetonitrile; at 20 ℃; for 42h;

DOI:10.1016/S0040-4020(97)00848-X

Reference yield: 31.0%

2,5-Dimethylphenol (95-87-4) + N-(ethoxymethyl)diethylamine (7352-03-6) → 6-(N,N-diethylaminomethyl)-2,5-dimethylphenol (6630-03-1) + 4-(N,N-diethylaminomethyl)-2,5-dimethylphenol (69286-57-3) + 4,6-bis(N,N-diethylaminomethyl)-2,5-dimethylphenol (120983-08-6)

Guidance literature:

In acetonitrile; at 20 ℃; for 42h;

DOI:10.1016/S0040-4020(97)00848-X

upstream raw materials:

6-(N-piperidinylmethyl)-2,5-dimethylphenol

bis-(diethylamino)methane

N-(ethoxymethyl)diethylamine

2,5-Dimethylphenol