2,6-Dimethyl-4-(pyrrolidin-1-ylmethyl)phenol

Base Information

• Chemical Name: 2,6-Dimethyl-4-(pyrrolidin-1-ylmethyl)phenol
• CAS No.: 60431-06-3
• Molecular Formula: C13H19NO
• Molecular Weight: 205.3
• DSSTox Substance ID: DTXSID60379002
• Wikidata: Q82168646
• Mol file: 60431-06-3.mol

Synonyms:2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol;60431-06-3;SCHEMBL3380016;DTXSID60379002;UXSWPAMSJIBWPT-UHFFFAOYSA-N;STL191442;AKOS017262990

Chemical Property of 2,6-Dimethyl-4-(pyrrolidin-1-ylmethyl)phenol

Chemical Property:

• PSA: 23.47000
• LogP: 2.54270
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 205.146664230
• Heavy Atom Count: 15
• Complexity: 189

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1O)C)CN2CCCC2

Technology Process of 2,6-Dimethyl-4-(pyrrolidin-1-ylmethyl)phenol

There total 1 articles about 2,6-Dimethyl-4-(pyrrolidin-1-ylmethyl)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: 44.0%

pyrrolidine (123-75-1) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2.6-dimethylphenol (576-26-1,25134-01-4) → 1-<(4-Hydroxy-3,5-dimethyl-phenyl)-methyl>-pyrrolidin (60431-06-3)

Guidance literature:

DOI:10.1002/ardp.19833160213

Reference yield: 0.94%

1-<(4-Hydroxy-3,5-dimethyl-phenyl)-methyl>-pyrrolidin (60431-06-3) → 2.6-dimethylphenol (576-26-1,25134-01-4) + 4-formyl-2,5-dimethylphenol (85231-15-8) + 1-<(4-Hydroxy-3,5-dimethyl-phenyl)-methyl>-pyrrolidon-(2) (65271-22-9)

Guidance literature:

With edetate disodium; mercury(II) oxide; for 1h;

DOI:10.1002/ardp.19833160213

Reference yield:

1-<(4-Hydroxy-3,5-dimethyl-phenyl)-methyl>-pyrrolidin (60431-06-3) → 1,3-Bis-<(4-hydroxy-3,5-dimethyl-phenyl)-methyl>-2-methyl-1,4,5,6-tetrahydropyridin (85231-16-9)

Guidance literature:

Multi-step reaction with 3 steps

1: HgO, Na₂EDTA / 1 h

3: 60 percent / HgO, Na₂EDTA / 1 h

With edetate disodium; mercury(II) oxide;

DOI:10.1002/ardp.19833160213

upstream raw materials:

pyrrolidine

formaldehyd

2.6-dimethylphenol

Downstream raw materials:

2.6-dimethylphenol

4-formyl-2,5-dimethylphenol

1-<(4-Hydroxy-3,5-dimethyl-phenyl)-methyl>-pyrrolidon-(2)

1-<(4-Hydroxy-3,5-dimethyl-phenyl)-methyl>-perhydroazepin