2-tert-Butylaniline

Base Information

• Chemical Name: 2-tert-Butylaniline
• CAS No.: 6310-21-0
• Molecular Formula: C10H15N
• Molecular Weight: 149.236
• Hs Code.: 29214990
• European Community (EC) Number: 228-634-5
• NSC Number: 43044
• UNII: 3F46C9L299
• DSSTox Substance ID: DTXSID50212439
• Nikkaji Number: J206.897D
• Wikidata: Q72502315
• Mol file: 6310-21-0.mol

Synonyms:2-tert-Butylaniline;6310-21-0;2-(tert-Butyl)aniline;Benzenamine, 2-(1,1-dimethylethyl)-;2-tert-Butylphenylamine;2-t-Butylaniline;2-tert-butyl-phenylamine;EINECS 228-634-5;MFCD00130023;NSC-43044;3F46C9L299;NSC43044;2-tert-butyl aniline;2-tert-butyl-aniline;2-(1,1-DIMETHYLETHYL)BENZENAMINE;Aniline, 2-tert-butyl-;2-tert-Butylaniline, 98%;SCHEMBL70170;2-(1,1-dimethylethyl)aniline;UNII-3F46C9L299;DTXSID50212439;NSC 43044;AKOS000120405;AM62643;CS-W002406;MB00719;AC-25606;AS-13591;SY014888;FT-0758010;EN300-20276;W-104934;Z104477556

Chemical Property of 2-tert-Butylaniline

Chemical Property:

• Appearance/Colour: clear pale yellow to red-brown liquid
• Vapor Pressure: 0.0525mmHg at 25°C
• Melting Point: 149.23 °C
• Refractive Index: n20/D 1.545(lit.)
• Boiling Point: 234.6 °C at 760 mmHg
• PKA: 3.78±0.10(Predicted)
• Flash Point: 99.7 °C
• PSA: 26.02000
• Density: 0.942 g/cm³
• LogP: 3.14750
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 149.120449483
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

99.9% ^*data from raw suppliers

2-(tert-Butyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-37/39-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: CC(C)(C)C1=CC=CC=C1N
• Uses: 2-tert-Butylaniline may be used in the preparation of 2,3-bis(2-tert-butyl-phenyl-imino)butane. It may be used in the preparation of two rotamers, anti- and syn-N,N′-bis-(2-tert-butylphenyl)naphthalene-1,4,5,8-tetracarboxylic diimides and their guest inclusion abilities were investigated.

Technology Process of 2-tert-Butylaniline

There total 27 articles about 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-tert-butyl-phenyl)-methylamine (109932-97-0) → 2-(1,1-dimethylethyl)-benzenamine (6310-21-0)

Guidance literature:

With dichloro(dimethylglyoxime)(dimethylglyoximato)cobalt(III); (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; triethylamine; In acetonitrile; at -78 ℃; for 24h; Reagent/catalyst; Sealed tube; Inert atmosphere; Irradiation;

DOI:10.1002/anie.202100051

Reference yield: 98.0%

tert-butyl methyl ether (1634-04-4) + aniline (62-53-3) → 2-(1,1-dimethylethyl)-benzenamine (6310-21-0)

Guidance literature:

With montmorillonite K₁₀ Clay; at 165 ℃; for 4h; Autoclave; Inert atmosphere;

Reference yield: 91.0%

2,2′-di(tertbutyl)azobenzene (21367-80-6) → 2-(1,1-dimethylethyl)-benzenamine (6310-21-0)

Guidance literature:

With zinc; In methanol; at 65 ℃; for 0.25h; Inert atmosphere;

DOI:10.3184/174751912X13553360452222

upstream raw materials:

1-tert-butyl-2-nitrobenzene

aniline

isobutene

tert-butylbenzene

Downstream raw materials:

N,N′-bis(4-tert-butylphenyl)formamidine

N-(2-tert-butylphenyl)-2,3,3-trimethyl-4-phenylbutanamide

(2-tert-Butyl-phenyl)-[1-(4-nitro-phenyl)-meth-(E)-ylidene]-amine

N-(2-(tert-butyl)phenyl)benzenesulfonamide

Refernces

• 1、 Radhika,Selvin, Rosilda,Kakkar, Rita,Selva Roselin,Hsu, Hsiu-Ling. "Tertiary butylation of aniline over nanosized zeolite beta catalyst". . p. 7960 - 7968. Retrieved 2018/08/09.
• 2、 Han,Yu,Xu,Song,Yan,Ma,Zhen. "Catalytic transfer reductive cleavage of azo compounds to amines using chitosan-supported formate and zinc". . p. 55 - 56. Retrieved 2013/04/10.