2-((Dimethylamino)methyl)-4-methylphenol

Base Information

• Chemical Name: 2-((Dimethylamino)methyl)-4-methylphenol
• CAS No.: 7204-35-5
• Molecular Formula: C10H15NO
• Molecular Weight: 165.235
• DSSTox Substance ID: DTXSID70498051
• Nikkaji Number: J1.166.243I
• Wikidata: Q82347879
• Mol file: 7204-35-5.mol

Synonyms:2-((dimethylamino)methyl)-4-methylphenol;2-[(Dimethylamino)methyl]-4-methylphenol;7204-35-5;SCHEMBL4004859;DTXSID70498051;2-dimethylaminomethyl-4-methylphenol;AKOS019066622

Chemical Property of 2-((Dimethylamino)methyl)-4-methylphenol

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 136

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-((Dimethylamino)methyl)-4-methylphenol

There total 8 articles about 2-((Dimethylamino)methyl)-4-methylphenol 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: 89.0%

3,4-dihydro-3,6-dimethyl-2H-1,3-benz[e]oxazine (3534-33-6) → 2-(dimethylamino-methyl)-4-methyl-phenol (7204-35-5)

Guidance literature:

With formic acid; Heating;

DOI:10.1021/ja990819g

Reference yield:

6-methyl-3-[(1R)-1-phenylethyl]3,4-dihydro-2H-1,3-benz[e]oxazine (237431-64-0) → 2-(dimethylamino-methyl)-4-methyl-phenol (7204-35-5)

Guidance literature:

Multi-step reaction with 4 steps

1: 85 percent / 97 percent HCOOH / Heating

2: 87 percent / H₂ / Pd(OH)2 / 760 Torr

3: 65 percent

4: 89 percent / 97 percent HCOOH / Heating

With formic acid; hydrogen; palladium dihydroxide;

DOI:10.1021/ja990819g

Reference yield:

4-Methyl-2-{[methyl-((R)-1-phenyl-ethyl)-amino]-methyl}-phenol (237431-65-1) → 2-(dimethylamino-methyl)-4-methyl-phenol (7204-35-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 87 percent / H₂ / Pd(OH)2 / 760 Torr

2: 65 percent

3: 89 percent / 97 percent HCOOH / Heating

With formic acid; hydrogen; palladium dihydroxide;

DOI:10.1021/ja990819g

upstream raw materials:

formaldehyd

p-cresol

dimethyl amine

3,4-dihydro-3,6-dimethyl-2H-1,3-benz[e]oxazine

Downstream raw materials:

2-(diphenylphosphinomethyl)-4-methylphenol

C₁₀H₁₄N₂O₃

2-(2-Amino-2-methylpropyl)-4-methylphenol

4-methyl-2-(piperidin-1-ylmethyl)phenol

Refernces

• 1、 -. "3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands". Page 80. . Retrieved 2008/06/13.
• 2、 Diery, Helmut,Renger, Bernd. "2-(2-Amino-2-methylpropyl)phenols by C-C-Linkage of 2-Hydroxybenzyl Alcohols with 2-Nitropropane Anions". . p. 1239 - 1251. Retrieved 2007/10/02.