2,4,6-Tri-tert-butyl-N-methylaniline

Base Information

• Chemical Name: 2,4,6-Tri-tert-butyl-N-methylaniline
• CAS No.: 4566-64-7
• Molecular Formula: C19H33 N
• Molecular Weight: 275.47
• Hs Code.: 2921420090
• European Community (EC) Number: 620-584-6
• DSSTox Substance ID: DTXSID30364389
• Nikkaji Number: J1.671.322H
• Wikidata: Q82148332
• Mol file: 4566-64-7.mol

Synonyms:2,4,6-Tri-tert-butyl-N-methylaniline;4566-64-7;2,4,6-tritert-butyl-N-methylaniline;2,4,6-tri-tert.-butyl-N-methylanilin;SCHEMBL134320;GFTNLYGZUUPSSM-UHFFFAOYSA-;DTXSID30364389;MFCD00181244;STL019968;AKOS002287663;N-Methyl-2,4,6-tri-tert-butylaniline;2,4,6-Tri-tert-butyl-N-methylaniline 95%;CS-0332143;2,4,6-Tri-tert-butyl-N-methylaniline, 95%;F0125-1774

Chemical Property of 2,4,6-Tri-tert-butyl-N-methylaniline

Chemical Property:

• Vapor Pressure: 0.000538mmHg at 25°C
• Melting Point: 109-111 °C(lit.)
• Refractive Index: 1.501
• Boiling Point: 312.2°C at 760 mmHg
• PKA: 3.82±0.12(Predicted)
• Flash Point: 132.8°C
• PSA: 12.03000
• Density: 0.891g/cm³
• LogP: 5.69380
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 275.261300057
• Heavy Atom Count: 20
• Complexity: 286

Purity/Quality:

99%min ^*data from raw suppliers

2,4,6-Tri-tert-butyl-N-methylaniline 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)NC)C(C)(C)C
• Uses: 2,4,6-Tri-tert-butyl-N-methylaniline may be used in the synthesis of 2,5-di-tert-butyl-N,N-dimethylanilinium iodide and 2,5-di-tert-butyl-N-ethyl-N-ethylanilinium iodide.

Technology Process of 2,4,6-Tri-tert-butyl-N-methylaniline

There total 3 articles about 2,4,6-Tri-tert-butyl-N-methylaniline 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: 40.0%

C18H30N(1-)*C4H10O*Li(1+) + methyl iodide (74-88-4) → 2,4,6-tri-tert-butyl-N-methylaniline (4566-64-7)

Guidance literature:

In diethyl ether; Heating;

DOI:10.1039/c39840000148

Reference yield:

methyl magnesium iodide (917-64-6) + 2,4,6-tri-tert-butylnitrobenzene (4074-25-3) → 2,4,6-tri-tert-butyl-N-methylaniline (4566-64-7)

Guidance literature:

DOI:10.1246/bcsj.48.3727

Reference yield:

→ 2,4,6-tri-tert-butyl-N-methylaniline (4566-64-7)

Guidance literature:

Nitrobenzol 1;

upstream raw materials:

methyl magnesium iodide

2,4,6-tri-tert-butylnitrobenzene

methyl iodide

Downstream raw materials:

N-(2,4-di-t-butylphenyl)-N-methylaminodichlorophosphine

Refernces