4-bromo-N,N,2,6-tetramethylaniline

Base Information

• Chemical Name: 4-bromo-N,N,2,6-tetramethylaniline
• CAS No.: 50638-54-5
• Molecular Formula: C10H14BrN
• Molecular Weight: 228.132
• Hs Code.: 2921430090
• DSSTox Substance ID: DTXSID30198681
• Wikidata: Q72469560
• Mol file: 50638-54-5.mol

Synonyms:4-bromo-N,N,2,6-tetramethylaniline;50638-54-5;N-(4-bromo-2,6-dimethylphenyl)-N,N-dimethylamine;N,N,2,6-Tetramethylaniline, 4-bromo-;4-BROMO-N,N-DIMETHYL-2,6-XYLIDINE;Benzenamine, 4-bromo-N,N,2,6-tetramethyl-;SCHEMBL635998;DTXSID30198681;NDDKEDQKCHIHMI-UHFFFAOYSA-N;MFCD00100113;AKOS016011200;N,N,2,6-Tetramethylaniline,4-bromo-;TS-03239;FT-0708653;(4-Bromo-2,6-dimethyl-phenyl)-dimethyl-amine;A828217;AE-562/43286937

Chemical Property of 4-bromo-N,N,2,6-tetramethylaniline

Chemical Property:

• Vapor Pressure: 0.00704mmHg at 25°C
• Refractive Index: 1.571
• Boiling Point: 269.9 °C at 760 mmHg
• Flash Point: 117.1 °C
• PSA: 3.24000
• Density: 1.295 g/cm³
• LogP: 3.13190
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 227.03096
• Heavy Atom Count: 12
• Complexity: 135

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-N,N,2,6-tetramethylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1N(C)C)C)Br

Technology Process of 4-bromo-N,N,2,6-tetramethylaniline

There total 4 articles about 4-bromo-N,N,2,6-tetramethylaniline 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) + formic acid (64-18-6) + 4-bromo-2,6-dimethylphenylamine (24596-19-8) → 4-dimethylamino-3,5-dimethylbromobenzene (50638-54-5)

Guidance literature:

formaldehyd; formic acid; 4-bromo-2,6-dimethylphenylamine; In water; at 23 ℃; for 2h; Heating / reflux;

With sodium hydrogencarbonate; In water;

Reference yield: 68.0%

→ 4-dimethylamino-3,5-dimethylbromobenzene (50638-54-5)

Guidance literature:

Reference yield:

dimethyl sulfate (77-78-1) → 4-dimethylamino-3,5-dimethylbromobenzene (50638-54-5)

Guidance literature:

at 160 ℃;

DOI:10.1021/ja01850a056

upstream raw materials:

formaldehyd

4-bromo-2,6-dimethylphenylamine

dimethyl sulfate

formic acid

Downstream raw materials:

4-dimethylamino-3,5-dimethyl-benzoic acid

4,4'-bis-dimethylamino-3,5,3',5'-tetramethyl-benzophenone

bis(4-dimethylamino-3,5-dimethylphenyl)phosphine oxide

bis(4-dimethylamino-3,5-dimethylphenyl)phosphine-borane complex

Refernces

• 1、 -. "DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME". Page/Page column 20-21. . Retrieved 2008/12/06.