2-Methyl-4-(trifluoromethyl)aniline

Base Information

• Chemical Name: 2-Methyl-4-(trifluoromethyl)aniline
• CAS No.: 67169-22-6
• Molecular Formula: C8H8 F3 N
• Molecular Weight: 175.153
• Hs Code.: 2921430090
• European Community (EC) Number: 689-838-1
• DSSTox Substance ID: DTXSID70548363
• Wikidata: Q72439211
• Mol file: 67169-22-6.mol

Synonyms:2-Methyl-4-(trifluoromethyl)aniline;67169-22-6;4-Amino-3-methylbenzotrifluoride;Benzenamine, 2-methyl-4-(trifluoromethyl)-;MFCD03701068;2-METHYL-4-TRIFLUOROMETHYLANILINE;2-Amino-5-(trifluoromethyl)toluene;SCHEMBL378246;2-amino-5-trifluoromethyltoluene;DTXSID70548363;2-methyl-4-trifluoromethyl Aniline;AC-959;CL9185;2-methyl-4(trifluoromethyl)benzenamine;2-methyl4-(trifluoromethyl)benzenamine;AKOS006344205;AM61607;CS-W017463;PS-8605;2-methyl-4-(trifluoromethyl)benzenamine;SY226435;A19771;EN300-108909;J-509973;Z1201622395

Chemical Property of 2-Methyl-4-(trifluoromethyl)aniline

Chemical Property:

• Vapor Pressure: 0.286mmHg at 25°C
• Boiling Point: 202.839°C at 760 mmHg
• PKA: 2.62±0.10(Predicted)
• Flash Point: 83.728°C
• PSA: 26.02000
• Density: 1.238g/cm³
• LogP: 3.17720
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 175.06088375
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

98%min ^*data from raw suppliers

2-Methyl-4-(trifluoromethyl)aniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methyl-4-(trifluoromethyl)aniline

There total 8 articles about 2-Methyl-4-(trifluoromethyl)aniline 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%

tert-butyl N-[2-methyl-4-(trifluoromethyl)phenyl]carbamate (220107-42-6) → 2-methyl-4-(trifluoromethyl)benzenamine (67169-22-6)

Guidance literature:

tert-butyl N-[2-methyl-4-(trifluoromethyl)phenyl]carbamate; With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.5h;

With sodium hydrogencarbonate; In water; pentane;

Reference yield: 86.0%

2-[(methylthio)methyl]-4-(trifluoromethyl)benzenamine (62639-14-9) → 2-methyl-4-(trifluoromethyl)benzenamine (67169-22-6)

Guidance literature:

With hydrogen; nickel; In ethanol; at 20 ℃; for 48h; under 2844.39 Torr;

Reference yield: 81.94%

Trimethylboroxine (823-96-1) + 4-amino-3-bromobenzotrifluoride (57946-63-1) → 2-methyl-4-(trifluoromethyl)benzenamine (67169-22-6)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; Inert atmosphere;

upstream raw materials:

1-methyl-3-trifluoromethyl-benzene

Bromotrifluoromethane

o-toluidine

tetrachloromethane

Downstream raw materials:

2 -bromo-6-methyl-4-(trifluoromethyl)aniline

Refernces

• 1、 -. "AhR MODULATORS". Paragraph 0300. . Retrieved 2019/08/29.
• 2、 -. "COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR". Paragraph 0147. . Retrieved 2017/08/01.