Phenol, 2-((dimethylamino)methyl)-4-(1,1-dimethylethyl)-

Base Information

• Chemical Name: Phenol, 2-((dimethylamino)methyl)-4-(1,1-dimethylethyl)-
• CAS No.: 97-43-8
• Molecular Formula: C13H21 N O
• Molecular Weight: 207.316
• European Community (EC) Number: 202-581-8
• NSC Number: 48144
• UNII: NH75DH2W5D
• DSSTox Substance ID: DTXSID6059152
• Nikkaji Number: J182.122I
• Wikidata: Q81988686
• Mol file: 97-43-8.mol

Synonyms:Plexol B;97-43-8;NH75DH2W5D;EINECS 202-581-8;NSC 48144;NSC-48144;Phenol, 2-((dimethylamino)methyl)-4-(1,1-dimethylethyl)-;Phenol, 2-[(dimethylamino)methyl]-4-(1,1-dimethylethyl)-;2-[(DIMETHYLAMINO)METHYL]-4-(1,1-DIMETHYLETHYL)PHENOL;AI3-09123;o-Cresol, 4-tert-butyl-alpha-(dimethylamino)-;2-((Dimethylamino)methyl)-4-(1,1-dimethylethyl)phenol;UNII-NH75DH2W5D;DTXSID6059152;SCHEMBL10874465;NSC48144;N-(2-hydroxy-5-t-butylbenzyl)-dimethylamine;2-[(Dimethylamino)methyl]-4-tert-butylphenol;o-Cresol, 4-tert-butyl-.alpha.-(dimethylamino)-;4-TERT-BUTYL-.ALPHA.-(DIMETHYLAMINO)-O-CRESOL

Chemical Property of Phenol, 2-((dimethylamino)methyl)-4-(1,1-dimethylethyl)-

Chemical Property:

• Vapor Pressure: 0.00283mmHg at 25°C
• Boiling Point: 276.6°C at 760 mmHg
• Flash Point: 100.4°C
• PSA: 23.47000
• Density: 0.981g/cm³
• LogP: 2.75130
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 207.162314293
• Heavy Atom Count: 15
• Complexity: 195

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phenol, 2-((dimethylamino)methyl)-4-(1,1-dimethylethyl)-

There total 2 articles about Phenol, 2-((dimethylamino)methyl)-4-(1,1-dimethylethyl)- 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: 91.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + para-tert-butylphenol (98-54-4) + dimethyl amine (124-40-3) → N-[methyl(2-hydroxy-5-tert-butylphenyl)]-N-dimethylamine (97-43-8)

Guidance literature:

In methanol; water; for 24h; Inert atmosphere; Schlenk technique; Glovebox; Reflux;

DOI:10.1039/c5dt03883a

Reference yield:

→ N-[methyl(2-hydroxy-5-tert-butylphenyl)]-N-dimethylamine (97-43-8)

Guidance literature:

4-t-Butylphenol, HCOH, Me2NH (ohne Details);

Reference yield: 47.0%

N-[methyl(2-hydroxy-5-tert-butylphenyl)]-N-dimethylamine (97-43-8) + phenylacetylene (536-74-3) → N,N-dimethyl-3-phenyl-2-propyn-1-amine (2568-65-2)

Guidance literature:

With N-chloro-succinimide; copper(II) choride dihydrate; sodium hydrogencarbonate; In toluene; at 20 - 110 ℃; for 6h; Reagent/catalyst; Solvent; Inert atmosphere;

DOI:10.1055/s-0032-1316862

upstream raw materials:

formaldehyd

para-tert-butylphenol

dimethyl amine

Downstream raw materials:

N,N-dimethyl-(5-tert-butyl-2-hydroxybenzyl)amine N-oxide

dimethyl-carbamic acid-(4-tert-butyl-2-dimethylaminomethyl-phenyl ester)

N,N-dimethyl-3-phenyl-2-propyn-1-amine