2-(Trifluoromethyl)benzene-1,4-diamine

Base Information

• Chemical Name: 2-(Trifluoromethyl)benzene-1,4-diamine
• CAS No.: 364-13-6
• Molecular Formula: C7H7F3N2
• Molecular Weight: 176.141
• Hs Code.: 29215900
• Mol file: 364-13-6.mol

Synonyms:Toluene-2,5-diamine,a,a,a-trifluoro- (6CI,8CI);2-Trifluoromethyl-1,4-benzenediamine;

Chemical Property of 2-(Trifluoromethyl)benzene-1,4-diamine

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.128mmHg at 25°C
• Melting Point: 54-58 °C(lit.)
• Refractive Index: 1.554
• Boiling Point: 259.8 °C at 760 mmHg
• PKA: 4.63±0.10(Predicted)
• Flash Point: 114.8 °C
• PSA: 52.04000
• Density: 1.381 g/cm³
• LogP: 3.03220
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature

Purity/Quality:

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

2,5-Diaminobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 2-(Trifluoromethyl)benzene-1,4-diamine

There total 10 articles about 2-(Trifluoromethyl)benzene-1,4-diamine 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%

4-nitro-2-trifluoromethyl-aniline (121-01-7) → 2-(trifluoromethyl)-1,4-phenylenediamine (364-13-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃; Inert atmosphere;

DOI:10.1021/acs.jmedchem.0c02252

Reference yield: 91.0%

4-nitro-3-(trifluoromethyl)benzeneamine (393-11-3) → 2-(trifluoromethyl)-1,4-phenylenediamine (364-13-6)

Guidance literature:

With tetrahydroxydiboron; water; sodium hydroxide; In methanol; for 0.0833333h;

DOI:10.1021/acs.orglett.9b00497

Reference yield: 91.0%

1,4-dinitro-2-(trifluoromethyl)benzene (870083-04-8) → 2-(trifluoromethyl)-1,4-phenylenediamine (364-13-6)

Guidance literature:

With hydrogen; In tetrahydrofuran; water; at 120 ℃; for 20h; under 37503.8 Torr; chemoselective reaction;

DOI:10.1126/science.1242005

upstream raw materials:

4-nitro-3-(trifluoromethyl)benzeneamine

N-[4-amino-3-(trifluoromethyl)phenyl]acetamide

N-acetyl-3-trifluoromethylbenzenamine

4-nitro-3-trifluoromethylacetanilide

Downstream raw materials:

trichloro-trifluoromethyl-[1,4]benzoquinone

2-Trifluormethyl-1,4-phenylendiisocyanat

C₁₂H₁₃F₃N₄O₄

1,4-phenylenediamine

Refernces

• 1、 Rahman, Taskia,Borah, Geetika,Gogoi, Pradip K. "Activated Mont K10-Carbon supported Fe2O3: A versatile catalyst for hydration of nitriles to amides and reduction of nitro compounds to amines in aqueous media". . . Retrieved 2021/03/14.
• 2、 Natte, Kishore,Jagadeesh, Rajenahally V.,He, Lin,Rabeah, Jabor,Chen, Jianbin,Taeschler, Christoph,Ellinger, Stefan,Zaragoza, Florencio,Neumann, Helfried,Brückner, Angelika,Beller, Matthias. "Palladium-Catalyzed Trifluoromethylation of (Hetero)Arenes with CF3Br". supporting information. p. 2782 - 2786. Retrieved 2016/02/27.