4-((Dimethylamino)methyl)-2,6-diisopropylphenol

Base Information

• Chemical Name: 4-((Dimethylamino)methyl)-2,6-diisopropylphenol
• CAS No.: 4918-95-0
• Molecular Formula: C15H25 N O
• Molecular Weight: 235.37
• Hs Code.: 2922299090
• NSC Number: 68328
• DSSTox Substance ID: DTXSID40197701
• Nikkaji Number: J67.709D
• Wikidata: Q83070490
• ChEMBL ID: CHEMBL55756
• Mol file: 4918-95-0.mol

Synonyms:4918-95-0;4-((dimethylamino)methyl)-2,6-diisopropylphenol;4-[(Dimethylamino)methyl]-2,6-diisopropylbenzenol;3-Hydroxybenzyldimethylamine hydrochloride;4-[(dimethylamino)methyl]-2,6-di(propan-2-yl)phenol;NSC 68328;BRN 2939746;CHEMBL55756;p-CRESOL, alpha-(DIMETHYLAMINO)-2,6-DIISOPROPYL-;alpha-(Dimethylamino)-m-cresol hydrochloride;alpha-(Dimethylamino)-2,6-diisopropyl-p-cresol;2,6-Diisopropyl-4-((dimethylamino)methyl)phenol;4-13-00-02008 (Beilstein Handbook Reference);2,6-Diisopropyl-4-[(dimethylamino)methyl]phenol;4-((DIMETHYLAMINO)METHYL)-2,6-DIISOPROPYLBENZENOL;CBMicro_016910;Oprea1_662916;SCHEMBL5569907;DTXSID40197701;CCG-5900;NSC68328;BDBM50064429;MFCD00514869;NSC-68328;AKOS005072129;CA-0871;SB81149;LS-55378;BIM-0016911.P001;4-Dimethylaminomethyl-2,6-diisopropyl-phenol;CS-0332008;FT-0680878;AB00080269-01;J-513181;4-[(dimethylamino)methyl]-2,6-bis(propan-2-yl)phenol

Chemical Property of 4-((Dimethylamino)methyl)-2,6-diisopropylphenol

Chemical Property:

• Vapor Pressure: 0.00062mmHg at 25°C
• Melting Point: 84-86°C
• Boiling Point: 300.6°Cat760mmHg
• Flash Point: 104.9°C
• PSA: 23.47000
• Density: 0.962g/cm³
• LogP: 3.70060
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 235.193614421
• Heavy Atom Count: 17
• Complexity: 207

Purity/Quality:

98%min ^*data from raw suppliers

4-((Dimethylamino)methyl)-2,6-diisopropylphenol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC(=CC(=C1O)C(C)C)CN(C)C

Technology Process of 4-((Dimethylamino)methyl)-2,6-diisopropylphenol

There total 2 articles about 4-((Dimethylamino)methyl)-2,6-diisopropylphenol 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: 68.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2,6-diisopropylphenol (2078-54-8) + dimethyl amine (124-40-3) → NSC 68328 (4918-95-0)

Guidance literature:

In ethanol; for 48h;

Reference yield:

→ NSC 68328 (4918-95-0)

Guidance literature:

2.6-Diisopropylphenol, Dimethylamin, CH2O;

Reference yield: 39.9%

NSC 68328 (4918-95-0) + 2,4-diamino-3-bromopyridine (72921-94-9) → 2-amino-3-bromo-4-<(4-hydroxy-3,5-diisopropylbenzyl)amino>pyridine + 2,4-diamino-3-bromo-5-(4-hydroxy-3,5-diisopropylbenzyl)pyridine

Guidance literature:

In ethylene glycol; at 140 - 150 ℃; for 5h;

DOI:10.1021/jm00178a008

upstream raw materials:

formaldehyd

2,6-diisopropylphenol

dimethyl amine

Downstream raw materials:

2-Cyano-2-(4-hydroxy-3,5-diisopropyl-benzyl)-3-(4-hydroxy-3,5-diisopropyl-phenyl)-propionic acid dodecyl ester

2,2-Bis-(4-hydroxy-3,5-diisopropyl-benzyl)-malonic acid bis-(2-dodecylsulfanyl-ethyl) ester

4-(2,4-diamino-6-methylsulfanyl-pyrimidin-5-ylmethyl)-2,6-diisopropyl-phenol

bis(4-hydroxy-2,6-dimethoxyphenyl)methane

Refernces

• 1、 Moehrle, H.,Schake, D.. "Heterocyclic Spirocyclohexadienones from Substituted Phenols". . p. 1859 - 1868. Retrieved 2007/10/03.