2-tert-Butyl-6-methylaniline

Base Information

• Chemical Name: 2-tert-Butyl-6-methylaniline
• CAS No.: 13117-94-7
• Molecular Formula: C11H17N
• Molecular Weight: 163.263
• Hs Code.: 2921430090
• European Community (EC) Number: 236-044-4
• UNII: CES8AF5KGK
• DSSTox Substance ID: DTXSID60156931
• Nikkaji Number: J150.540H
• Wikidata: Q83025052
• Mol file: 13117-94-7.mol

Synonyms:13117-94-7;2-tert-Butyl-6-methylaniline;6-tert-Butyl-o-toluidine;2-(tert-Butyl)-6-methylaniline;2-Methyl-6-t-butylaniline;Benzenamine, 2-(1,1-dimethylethyl)-6-methyl-;CES8AF5KGK;EINECS 236-044-4;2-methyl-6-tert-butyl aniline;UNII-CES8AF5KGK;o-toluidine 2-aminotoluene;2-methyl-6-tert-butylaniline;SCHEMBL1804107;GWIUAENVORNODL-UHFFFAOYSA-;DTXSID60156931;Aniline, 2-tert-butyl-6-methyl-;MFCD00025208;SB76088;AS-66232;CS-0046973;FT-0636798;M0763;Benzenamine,2-(1,1-dimethylethyl)-6-methyl-;W16006;2-(1,1-DIMETHYLETHYL)-6-METHYLBENZENAMINE

Chemical Property of 2-tert-Butyl-6-methylaniline

Chemical Property:

• Refractive Index: 1.5400 to 1.5440
• Boiling Point: 247.8 °C at 760 mmHg
• Flash Point: 103.1 °C
• PSA: 26.02000
• Density: 0.934g/cm³
• LogP: 3.45590
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 163.136099547
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-tert-Butyl-6-methylaniline ^*data from reagent suppliers

Safty Information:

• Statements: 23/24/25
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C(C)(C)C)N

Technology Process of 2-tert-Butyl-6-methylaniline

There total 5 articles about 2-tert-Butyl-6-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: 39.68%

2-tert-Butyl-6-methylphenol (2219-82-1) → 2-tert-butyl-6-methylaniline (13117-94-7)

Guidance literature:

With ammonia; hydrogen; In 1,4-dioxane; at 230 ℃; under 760.051 Torr;

DOI:10.5012/bkcs.2012.33.2.387

Reference yield:

o-toluidine (95-53-4) + isobutene (115-11-7,15220-85-6) → 2-tert-butyl-6-methylaniline (13117-94-7) + 2-methyl-4-tert-butylaniline (2909-82-2)

Guidance literature:

With aluminum (III) chloride; aluminium; mercury dichloride; at 250 ℃; for 8h; under 67506.8 Torr; Inert atmosphere;

DOI:10.1002/ejoc.200900350

Reference yield:

2-methyl-propan-1-ol (78-83-1) + o-toluidine (95-53-4) → 2-tert-butyl-6-methylaniline (13117-94-7)

Guidance literature:

With zinc(II) chloride;

upstream raw materials:

2-methyl-propan-1-ol

o-toluidine

isobutene

2-tert-Butyl-6-methylphenol

Downstream raw materials:

1-(2-methylphenyl)pyrrolidine

o-toluidine

isobutene

2-tert.-Butyl-6-methyl-phenylazomethin

Refernces

• 1、 Quast, Helmut,Ross, Karl-Heinz,Philipp, Gottfried,Hagedorn, Manfred,Hahn, Harald,Banert, Klaus. "Syntheses and15N NMR Spectra of Iminodiaziridines - Ring-Expansions of 1-Aryl-3-iminodiaziridines to 1H- and 3aH-Benzimidazoles, 2H-Indazoles, and 5H-Dibenzo[d,f] [1,3]diazepines". supporting information; experimental part. p. 3940 - 3952. Retrieved 2010/03/01.