4-Bromo-2,6-diisopropylaniline

Base Information

• Chemical Name: 4-Bromo-2,6-diisopropylaniline
• CAS No.: 80058-84-0
• Deprecated CAS: 553627-70-6
• Molecular Formula: C12H18BrN
• Molecular Weight: 256.186
• Hs Code.: 2921420090
• European Community (EC) Number: 833-551-8
• DSSTox Substance ID: DTXSID40472464
• Nikkaji Number: J2.152.414J
• Wikidata: Q82301425
• Mol file: 80058-84-0.mol

Synonyms:4-Bromo-2,6-diisopropylaniline;80058-84-0;4-bromo-2,6-di(propan-2-yl)aniline;MFCD09743895;2,6-diisopropyl-4-bromoaniline;Benzenamine, 4-bromo-2,6-bis(1-methylethyl)-;SCHEMBL636376;DTXSID40472464;QAQRHTYPYQPBSX-UHFFFAOYSA-N;4-bromo-2,6-di-iso-propylaniline;4-bromo-2,6-diisopropylphenylamine;AKOS016846086;4-bromo-2,6-bis(propan-2-yl)aniline;AM83137;CS-W019405;DS-12932;SY104405;B4113;FT-0647278;A839824

Chemical Property of 4-Bromo-2,6-diisopropylaniline

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.553
• Boiling Point: 300.513 °C
• PKA: 3.54±0.10(Predicted)
• Flash Point: 135.546 °C
• PSA: 26.02000
• Density: 1.231 g/cm³
• LogP: 4.85930
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 255.06226
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC(=CC(=C1N)C(C)C)Br
• Uses: 4-Bromo-2,6-diisopropylaniline is used as a reactant in the preparation of hyperbranched ethylene oligomers.

Technology Process of 4-Bromo-2,6-diisopropylaniline

There total 5 articles about 4-Bromo-2,6-diisopropylaniline 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: 100.0%

2,6-diisopropylbenzenamine (24544-04-5) → 4-bromo-2,6-diisopropylaniline (80058-84-0)

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide; at 0 - 5 ℃; for 0.333333h; Inert atmosphere;

Reference yield: 92.1%

2,6-diisopropyl-4-bromoaniline hydrobromide → 4-bromo-2,6-diisopropylaniline (80058-84-0)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 1h;

DOI:10.1002/asia.201000499

Reference yield: 79.0%

2,6-diisopropylaniline hydrochloric acid salt (50522-40-2) → 4-bromo-2,6-diisopropylaniline (80058-84-0)

Guidance literature:

With bromine; In methanol; acetic acid; for 2h;

DOI:10.1016/j.jorganchem.2004.11.046

upstream raw materials:

2,6-diisopropylbenzenamine

2,6-diisopropylaniline hydrochloric acid salt

Downstream raw materials:

1-bromo-3,5-bis(propan-2-yl)benzene

N-(4-bromo-2,6-diisopropylphenyl)(4,5-dimethyl-6H-cyclopenta[b]thien-6-yl)dimethylsilanamine

N-(2,6-diisopropyl-4-(pyren-1-ylethynyl)phenyl)formamide

1-((4-isocyano-3,5-diisopropylphenyl)ethynyl)pyrene

Refernces

• 1、 -. "Synthesis method of diafenthiuron impurity D". Paragraph 0023; 0031-0035. . Retrieved 2021/08/06.
• 2、 Eschmann, Christian,Song, Lijuan,Schreiner, Peter R.. "London Dispersion Interactions Rather than Steric Hindrance Determine the Enantioselectivity of the Corey–Bakshi–Shibata Reduction". supporting information. p. 4823 - 4832. Retrieved 2021/02/01.