4-Bromo-2-tert-butylaniline

Base Information

• Chemical Name: 4-Bromo-2-tert-butylaniline
• CAS No.: 850012-44-1
• Molecular Formula: C10H14BrN
• Molecular Weight: 228.132
• Hs Code.: 2921490090
• UNII: XJ2TQH5R6K
• Mol file: 850012-44-1.mol

Synonyms:4-Bromo-2-tert-butylaniline;850012-44-1;4-Bromo-2-(tert-butyl)aniline;4-bromo-2-tert-butylphenylamine;4-Bromo-2-(1,1-dimethylethyl)aniline;4-bromo-2-tert-butylbenzenamine;XJ2TQH5R6K;4-Bromo-2-(1,1-dimethylethyl)benzenamine;Benzenamine, 4-bromo-2-(1,1-dimethylethyl)-;UNII-XJ2TQH5R6K;AE-562/43287072;4-Bromo-2-(t-butyl)aniline;SCHEMBL381761;4-bromo-2-tert-butyl-phenylamine;MRHVSOBPZBXNEB-UHFFFAOYSA-N;MFCD09965991;AS-60457;CS-0039209;W12952;EN300-3012358;A1-11022

Chemical Property of 4-Bromo-2-tert-butylaniline

Chemical Property:

• Boiling Point: 146-147 °C(Press: 9 Torr)
• PKA: 3.08±0.10(Predicted)
• PSA: 26.02000
• Density: 1.306±0.06 g/cm3(Predicted)
• LogP: 3.91000
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 227.03096
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-2-tert-butylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=C(C=CC(=C1)Br)N
• Uses: 4-Bromo-2-tert-butylaniline is an intermediate in the synthesis of 1-(2-tert-Butyl-4-bromophenyl)pyrrolidin-2-one (T135885), which is an intermediate in the preparation of [1,1'':3'',1'''']terphenyl-4-carboxylic acid and esters as ligands modulating retinoic acid receptors (RAR).

Technology Process of 4-Bromo-2-tert-butylaniline

There total 6 articles about 4-Bromo-2-tert-butylaniline 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-(1,1-dimethylethyl)-benzenamine (6310-21-0) → 4-bromo-(2-tert-butyl)aniline (850012-44-1)

Guidance literature:

With tetra-N-butylammonium tribromide; In tetrahydrofuran; at 0 - 20 ℃; for 0.166667h;

Reference yield: 84.0%

methyl 4-amino-3-bromobenzoate (106896-49-5) → 4-bromo-(2-tert-butyl)aniline (850012-44-1)

Guidance literature:

With tetra-N-butylammonium tribromide; In tetrahydrofuran; at 0 - 20 ℃;

Reference yield: 57.0%

N-(4-bromo-2-tert-butyl-phenyl)-acetamide (73621-42-8) → 4-bromo-(2-tert-butyl)aniline (850012-44-1)

Guidance literature:

With hydrogenchloride; In water; isopropyl alcohol; for 18h; Reflux;

DOI:10.1002/anie.201604268

upstream raw materials:

N-(2-tert-butylphenyl)acetamide

2-(1,1-dimethylethyl)-benzenamine

1-azido-2-tert-butylbenzene

N-(4-bromo-2-tert-butyl-phenyl)-acetamide

Downstream raw materials:

3-(tert-butyl)-4-nitrobiphenyl

4-bromo-2-chloro-6-(1,1-dimethylethyl)aniline

(4-bromo-2-tert-butylphenyl)ethylamine

(4-Bromo-2-tert-butylphenyl)diethylamine