4-Methyl-2-(trifluoromethyl)aniline

Base Information

• Chemical Name: 4-Methyl-2-(trifluoromethyl)aniline
• CAS No.: 87617-23-0
• Molecular Formula: C8H8F3N
• Molecular Weight: 175.153
• Hs Code.: 2921430090
• DSSTox Substance ID: DTXSID70372221
• Wikidata: Q72439209
• Mol file: 87617-23-0.mol

Synonyms:4-methyl-2-(trifluoromethyl)aniline;87617-23-0;2-Amino-5-methylbenzotrifluoride;4-methyl-2-trifluoromethylaniline;3-(TRIFLUOROMETHYL)-4-AMINO-TOLUENE;Benzenamine, 4-methyl-2-(trifluoromethyl)-;4-methyl-2-trifluoromethyl-phenylamine;SCHEMBL184870;2-trifluoromethyl-4-methylaniline;DTXSID70372221;4-methyl-2-trifluoromethylphenylamine;CL9148;MFCD01631581;AKOS006228370;AC-6877;4-methyl-2-(trifluoromethyl)benzenamine;AS-46224;CS-0169344;FT-0611177;EN300-103742;J-511017

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

Chemical Property:

• Vapor Pressure: 0.333mmHg at 25°C
• Boiling Point: 199.9 °C at 760 mmHg
• PKA: 1.90±0.10(Predicted)
• Flash Point: 82.2 °C
• PSA: 26.02000
• Density: 1.237 g/cm³
• LogP: 3.17720
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• 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:

99% ^*data from raw suppliers

2-Amino-5-methylbenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 23/24/25
• Safety Statements: 36/37/39-45

MSDS Files:

Useful:

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

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

There total 5 articles about 4-Methyl-2-(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: 89.0%

Togni's reagent II (887144-94-7) + p-toluidine (106-49-0,12221-03-3) → 4-methyl-2-trifluoromethylaniline (87617-23-0)

Guidance literature:

With fluorescein; In water; N,N-dimethyl-formamide; at 20 ℃; for 2h; Concentration; Reagent/catalyst; Irradiation;

Reference yield: 30.0%

Bromotrifluoromethane (75-63-8) + p-toluidine (106-49-0,12221-03-3) → 4-methyl-2-trifluoromethylaniline (87617-23-0)

Guidance literature:

With α-picoline; sodium metabisulfite; sulfur dioxide; zinc; In N,N-dimethyl-formamide; at 20 ℃; for 2h; under 2250.2 - 3750.3 Torr;

Reference yield: 30.0%

2,6-dimethylpyridine (108-48-5) + p-toluidine (106-49-0,12221-03-3) → 4-methyl-2-trifluoromethylaniline (87617-23-0)

Guidance literature:

upstream raw materials:

1-methyl-3-trifluoromethyl-benzene

Bromotrifluoromethane

p-toluidine

2,6-dimethylpyridine

Refernces

• 1、 Chen, Xiaoyu,Ding, Licheng,Li, Linlin,Li, Jingya,Zou, Dapeng,Wu, Yangjie,Wu, Yusheng. "Transition metal-free direct C–H trifluoromethyltion of (hetero)arenes with Togni's reagent". supporting information. . Retrieved 2019/12/30.
• 2、 -. "Preparation method of trifluoromethylamine". Paragraph 0060-0064. . Retrieved 2018/09/28.