o-CRESOL, alpha-(DIETHYLAMINO)-

Base Information

• Chemical Name: o-CRESOL, alpha-(DIETHYLAMINO)-
• CAS No.: 4992-02-3
• Molecular Formula: C11H17NO
• Molecular Weight: 179.262
• DSSTox Substance ID: DTXSID00198153
• Nikkaji Number: J801.726C
• Wikidata: Q83070943
• Mol file: 4992-02-3.mol

Synonyms:o-Diethylaminomethylphenol;2-[(diethylamino)methyl]phenol;o-CRESOL, alpha-(DIETHYLAMINO)-;BRN 2803355;alpha-(Diethylamino)-o-cresol;4992-02-3;Phenol, 2-((diethylamino)methyl)-;2-((diethylamino)methyl)phenol;2-(diethylaminomethyl)phenol;2-diethylaminomethylphenol;SCHEMBL1822448;DTXSID00198153;STK118612;AKOS005399961;LS-55373;3-13-00-01539 (Beilstein Handbook Reference)

Chemical Property of o-CRESOL, alpha-(DIETHYLAMINO)-

Chemical Property:

• Vapor Pressure: 0.0105mmHg at 25°C
• Boiling Point: 255°Cat760mmHg
• Flash Point: 99.6°C
• Density: 1.01g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 179.131014166
• Heavy Atom Count: 13
• Complexity: 134

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of o-CRESOL, alpha-(DIETHYLAMINO)-

There total 9 articles about o-CRESOL, alpha-(DIETHYLAMINO)- 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: 82.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + diethylamine (109-89-7) + phenylboronic acid (98-80-6) → o-dimethylaminomethylphenol (4992-02-3)

Guidance literature:

With tert.-butylhydroperoxide; In water; toluene; at 80 ℃; for 8h; Solvent; regioselective reaction; Sealed tube;

DOI:10.1016/j.tetlet.2017.02.081

Reference yield: 72.0%

N,N-diethylsalicylamide (19311-91-2) → o-dimethylaminomethylphenol (4992-02-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1055/s-0029-1217991

Reference yield: 68.0%

2-acetoxymethylphenol (6161-96-2) + diethylamine (109-89-7) → o-dimethylaminomethylphenol (4992-02-3)

Guidance literature:

at 25 ℃; for 3h;

DOI:10.1016/S0040-4039(00)99619-9

upstream raw materials:

formaldehyd

diethylamine

phenol

N,N-diethylsalicylamide

Downstream raw materials:

(2-Hydroxy-benzyl)-phosphonothioic acid O,O-diethyl ester

salicylic alcohol

1,7-bis-(2-diethylaminomethyl-phenoxy)-heptane