2-Isopropyl-6-methylaniline

Base Information

• Chemical Name: 2-Isopropyl-6-methylaniline
• CAS No.: 5266-85-3
• Molecular Formula: C10H15N
• Molecular Weight: 149.236
• Hs Code.: 2921430090
• European Community (EC) Number: 226-083-5
• UNII: JS12FDL562
• DSSTox Substance ID: DTXSID40200628
• Nikkaji Number: J150.538F
• Wikidata: Q27281661
• Mol file: 5266-85-3.mol

Synonyms:2-Isopropyl-6-methylaniline;5266-85-3;6-Isopropyl-o-toluidine;2-methyl-6-propan-2-ylaniline;Benzenamine, 2-methyl-6-(1-methylethyl)-;2-Methyl-6-isopropylaniline;2-methyl-6-(propan-2-yl)aniline;UNII-JS12FDL562;JS12FDL562;EINECS 226-083-5;MFCD00007746;2-Methyl-6-(1-methylethyl)benzenamine;2-isopropyl-6-methyl-aniline;2-isopropyl-6-methylbenzenamine;2-Amino-m-cymene;M-CYMEN-2-AMINE;2-isopropyl-6-methylanilin;2-iso-propyl-6-methylaniline;2-Methyl-6-isopropyl aniline;SCHEMBL399144;NIOSH/BY4205000;Aniline, 2-isopropyl-6-methyl-;2-Isopropyl-6-methyl-phenylamine;DTXSID40200628;2,6-METHYLISOPROPYLANILINE;BBL036472;STL559013;AKOS000120349;2-ISOPROPYL-6-METHYLPHENYLAMINE;CS-W020539;LS-19855;PS-11728;SY058775;BY42050000;FT-0600437;EN300-20143;Q27281661

Chemical Property of 2-Isopropyl-6-methylaniline

Chemical Property:

• Appearance/Colour: clear red to brown liquid
• Vapor Pressure: 0.048mmHg at 25°C
• Refractive Index: n20/D 1.544(lit.)
• Boiling Point: 236.2 °C at 760 mmHg
• PKA: 4.28±0.10(Predicted)
• Flash Point: 97.8 °C
• PSA: 26.02000
• Density: 0.944 g/cm³
• LogP: 3.28180
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 149.120449483
• Heavy Atom Count: 11
• Complexity: 120

Purity/Quality:

98% ^*data from raw suppliers

2-Isopropyl-6-methylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-20/21/22-36/37/38
• Safety Statements: 16-26-36/37/39-27

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Isopropyl-6-methylaniline

There total 4 articles about 2-Isopropyl-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: 94.0%

2-methyl-6-(1-methylethenyl)benzenamine (107859-36-9) → 2-isopropyl-6-methylaniline (5266-85-3)

Guidance literature:

With palladium on activated charcoal; hydrogen; In ethyl acetate; at 20 ℃;

Reference yield:

2-bromo-6-methylaniline (53848-17-2) → 2-isopropyl-6-methylaniline (5266-85-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / water; 1,4-dioxane / Inert atmosphere; Reflux

2: hydrogen; palladium on activated charcoal / ethyl acetate / 20 °C

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; palladium on activated charcoal; hydrogen; sodium carbonate; In 1,4-dioxane; water; ethyl acetate;

Reference yield:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + o-toluidine (95-53-4) → 2-isopropyl-6-methylaniline (5266-85-3)

Guidance literature:

With aluminium trichloride; aluminium;

upstream raw materials:

propene

o-toluidine

2-bromo-6-methylaniline

2-methyl-6-(1-methylethenyl)benzenamine

Downstream raw materials:

1-(2-Isopropyl-6-methyl-phenyl)-pyrrolidine

3-(2-methyl 6-isopropyl phenylcarbamoyl)-5-methyl isoxazole

3-Methyl-isoxazole-5-carboxylic acid (2-isopropyl-6-methyl-phenyl)-amide

2-(2-Isopropyl-6-methyl-phenylamino)-9,10-dimethoxy-6,7-dihydro-pyrimido[6,1-a]isoquinolin-4-one

Refernces

• 1、 -. "New diamines and a process for their production". . . Retrieved 2008/06/13.