4-(HEXAFLUORO-2-HYDROXYISOPROPYL)ANILINE

Base Information

• Chemical Name: 4-(HEXAFLUORO-2-HYDROXYISOPROPYL)ANILINE
• CAS No.: 722-92-9
• Molecular Formula: C9H7F6NO
• Molecular Weight: 259.151
• Hs Code.: 29221990
• Mol file: 722-92-9.mol

Synonyms:Benzylalcohol, p-amino-a,a-bis(trifluoromethyl)-(6CI,7CI,8CI);1-(4-Aminophenyl)-1-trifluoromethyl-2,2,2-trifluoroethanol;2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-[2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]aniline;KP 4;[4-[2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amine;p-Amino-a,a-bis(trifluoromethyl)benzyl alcohol;

Chemical Property of 4-(HEXAFLUORO-2-HYDROXYISOPROPYL)ANILINE

Chemical Property:

• Appearance/Colour: light brown crystalline powder
• Vapor Pressure: 0.000814mmHg at 25°C
• Melting Point: 147-152 °C
• Refractive Index: 1.454
• Boiling Point: 292.9 °C at 760 mmHg
• PKA: 9.86±0.15(Predicted)
• Flash Point: 130.9 °C
• PSA: 46.25000
• Density: 1.505 g/cm³
• LogP: 3.16220
• Storage Temp.: Keep Cold under Argon

Purity/Quality:

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

4-(Hexafluoro-2-hydroxyisopropyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(HEXAFLUORO-2-HYDROXYISOPROPYL)ANILINE

There total 3 articles about 4-(HEXAFLUORO-2-HYDROXYISOPROPYL)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: 45.0%

1,1,1,3',3',3'-hexafluoro-propanol (920-66-1) + aniline (62-53-3) → 2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol (722-92-9)

Guidance literature:

With piperidin-1-yl benzoate; copper(II) acetate tetrahydrate; at 70 ℃; for 5h;

DOI:10.1021/acs.orglett.8b03666

Reference yield:

aniline (62-53-3) + Hexafluoroacetone (684-16-2) → 2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol (722-92-9) + 2-(2-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (2713-62-4)

Guidance literature:

With toluene-4-sulfonic acid; In water; toluene; Reflux;

DOI:10.1016/j.bmcl.2014.07.019

Reference yield:

→ 2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol (722-92-9)

Guidance literature:

Anilin, CO(CF3)2, Bzl.;

upstream raw materials:

aniline

Hexafluoroacetone

1,1,1,3',3',3'-hexafluoro-propanol

Downstream raw materials:

4-perfluoroisopropylaniline

p-Nitro-α,α-bis-(trifluormethyl)-benzylalkohol

2-methyl-N-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenyl]-butyramidine

4-(2,2,2-trifluoro-1-triethylsilanyloxy-1-trifluoromethyl-ethyl)-phenylamine

Refernces

• 1、 Matsuno, Kenji,Ueda, Youki,Fukuda, Miwa,Onoda, Kenji,Waki, Minoru,Ikeda, Masanori,Kato, Nobuyuki,Miyachi, Hiroyuki. "Synthesis and inhibitory activity on hepatitis C virus RNA replication of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)aniline analogs". . p. 4276 - 4280. Retrieved 2014/09/17.