2-(Trifluoroacetyl)-4-chloroaniline, Hydrochloride Hydrate

Base Information

• Chemical Name: 2-(Trifluoroacetyl)-4-chloroaniline, Hydrochloride Hydrate
• CAS No.: 173676-59-0
• Molecular Formula: C8H5ClF3NO^.HCl
• Molecular Weight: 260.043
• Hs Code.: 2921420090
• Mol file: 173676-59-0.mol

Synonyms:[4-chloro-2-(2,2,2-trifluoroacetyl)phenyl]azanium;chloride;2-(Trifluoroacetyl)-4-chloroaniline, Hydrochloride Hydrate

Chemical Property of 2-(Trifluoroacetyl)-4-chloroaniline, Hydrochloride Hydrate

Chemical Property:

• Vapor Pressure: 0.00339mmHg at 25°C
• Melting Point: 156-158oC
• Boiling Point: 282.3 °C at 760 mmHg
• Flash Point: 124.5 °C
• PSA: 52.32000
• LogP: 3.98610
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 258.9778537
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

2-(Trifluoroacetyl)-4-chloroaniline,HydrochlorideHydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)C(=O)C(F)(F)F)[NH3+].[Cl-]
• Uses: HIV reverse transcriptase inhibitor.

Technology Process of 2-(Trifluoroacetyl)-4-chloroaniline, Hydrochloride Hydrate

There total 8 articles about 2-(Trifluoroacetyl)-4-chloroaniline, Hydrochloride Hydrate 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: 70.0%

ethyl trifluoroacetate, (383-63-1) + N-(2-bromo-4-chlorophenyl)pivalamide (195372-65-7) → 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethanone hydrochloride (173676-59-0)

Guidance literature:

N-(2-bromo-4-chlorophenyl)pivalamide; With iodine; magnesium; lithium chloride; In tetrahydrofuran; at 20 ℃; for 6h;

ethyl trifluoroacetate,; In tetrahydrofuran; at -15 - 20 ℃; for 0.5h;

With hydrogenchloride; acetic acid; at 75 ℃; for 4h; Reagent/catalyst; Temperature;

Reference yield:

1-(5-chloro-2-nitrophenyl)-2,2,2-trifluoroethanone → 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethanone hydrochloride (173676-59-0)

Guidance literature:

1-(5-chloro-2-nitrophenyl)-2,2,2-trifluoroethanone; With 5%-palladium/activated carbon; hydrogen; In ethyl acetate; at 20 - 60 ℃; under 750.075 - 10501.1 Torr;

With hydrogenchloride; for 30h;

Reference yield:

N-(4-chloro-2-(2,2,2-trifluoroacetyl)phenyl)pivalamide (181190-33-0) → 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethanone hydrochloride (173676-59-0)

Guidance literature:

With hydrogenchloride; In dimethoxyethane (DME); Heating / reflux;

upstream raw materials:

N-(4-chloro-2-(2,2,2-trifluoroacetyl)phenyl)pivalamide

ethyl trifluoroacetate,

N-(2-bromo-4-chlorophenyl)pivalamide

4-chloro-aniline

Downstream raw materials:

6-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)quinoline

6-chloro-2-cyclopropyl-4-(trifluoromethyl)quinoline

1-(2-amino-5-chloro-phenyl)-2,2,2-trifluoro-ethanone

Refernces

• 1、 -. "AN IMPROVED PROCESS FOR THE PREPARATION OF A NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR". Page/Page column 15. . Retrieved 2015/09/22.