4-Aminobenzotrifluoride hydrochloride

Base Information

• Chemical Name: 4-Aminobenzotrifluoride hydrochloride
• CAS No.: 90774-69-9
• Molecular Formula: C7H6F3N.ClH
• Molecular Weight: 197.587
• Hs Code.: 29214200
• European Community (EC) Number: 292-679-7
• DSSTox Substance ID: DTXSID60238261
• Mol file: 90774-69-9.mol

Synonyms:90774-69-9;4-Aminobenzotrifluoride hydrochloride;4-(Trifluoromethyl)aniline hydrochloride;4-(TrifluoroMethyl)aniline (hydrochloride);4-(trifluoromethyl)aniline;hydrochloride;4-(Trifluoromethyl)anilinium chloride;4-Aminobenzotrifluoride, HCl;EINECS 292-679-7;Benzenamine, 4-(trifluoromethyl)-, hydrochloride;SCHEMBL2130181;DTXSID60238261;MFCD00007897;4-aminobenzotrifluoride, hydrochloride;4-trifluoromethylaniline hydrochloride;AKOS015849490;4-(Trifluoromethyl)anilinehydrochloride;4-Trifluoromethyl-phenylammonium chloride;a,a,a-Trifluoro-p-toluidine hydrochloride;CS-15643;CS-0008093;FT-0617564;T3833;4-(Trifluoromethyl)aniline hydrochloride, 97%;D72462;A843634

Chemical Property of 4-Aminobenzotrifluoride hydrochloride

Chemical Property:

• Appearance/Colour: Yellow granular powder
• Vapor Pressure: 0.554mmHg at 25°C
• Melting Point: 200 °C(lit.)
• Boiling Point: 190 °C at 760 mmHg
• Flash Point: 86.7 °C
• PSA: 26.02000
• LogP: 3.67080
• Sensitive.: Hygroscopic
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 197.0219114
• Heavy Atom Count: 12
• Complexity: 124

Purity/Quality:

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

4-Aminobenzotrifluoridehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(F)(F)F)N.Cl
• Uses: 4-(Trifluoromethyl)aniline hydrochloride is used in the synthesis of 2-(4-((6-Chloro-2-quinoxalinyl)oxy)phenoxy)-N-(4-(trifluoromethyl)phenyl)propanamide. It is also used to produce N-(p-trifluoromethylphenyl)phosphoramidic dichloride. 4-Aminobenzotrifluoride hydrochloride may be used in the synthesis of 2-(4-((6-Chloro-2-quinoxalinyl)oxy)phenoxy)-N-(4-(trifluoromethyl)phenyl)propanamide.

Technology Process of 4-Aminobenzotrifluoride hydrochloride

There total 9 articles about 4-Aminobenzotrifluoride hydrochloride 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: 91.6%

4-(trifluromethyl)acetanilide (349-97-3) → 4-aminobenzotrifluoride hydrochloride (90774-69-9)

Guidance literature:

With thionyl chloride; In methanol; for 2.5h; Reflux;

DOI:10.1007/s11164-011-0327-6

Reference yield: 91.4%

2-chloro-N-(4-trifluomethylphenyl)acetamide (2707-23-5) → 4-aminobenzotrifluoride hydrochloride (90774-69-9)

Guidance literature:

With thionyl chloride; In methanol; for 1h; Reflux;

DOI:10.1007/s11164-011-0327-6

Reference yield: 76.0%

p-nitrobenzotrifluoride (402-54-0) → 4-aminobenzotrifluoride hydrochloride (90774-69-9)

Guidance literature:

p-nitrobenzotrifluoride; With sodium tetrahydroborate; iron(III) trifluoromethanesulfonate; ethanol; at 20 ℃; for 4h; Inert atmosphere; Green chemistry;

With hydrogenchloride; In diethyl ether; Inert atmosphere; Green chemistry;

DOI:10.1039/c4ob00945b

upstream raw materials:

4-(trifluoromethyl)phenylmagnesium bromide

4-trifluoromethylphenylamine

4-(trifluromethyl)acetanilide

2-chloro-N-(4-trifluomethylphenyl)acetamide

Downstream raw materials:

p-trifluoromethyl-phenylisocyanate

1-(4-(trifluoromethyl)phenyl)thiourea

2-amino-6-trifluoromethyl-1,3-benzothiazole

2-amino-5-(trifluoromethyl)benzenethiol

Refernces

• 1、 R?ssler, Simon L.,Jelier, Benson J.,Tripet, Pascal F.,Shemet, Andrej,Jeschke, Gunnar,Togni, Antonio,Carreira, Erick M.. "Pyridyl Radical Cation for C?H Amination of Arenes". supporting information. p. 526 - 531. Retrieved 2019/01/04.
• 2、 Wang, Gong-Bao,Wang, Lin-Fa,Li, Chao-Zhang,Sun, Jing,Zhou, Guang-Ming,Yang, Da-Cheng. "A facile and efficient method for the selective deacylation of N-arylacetamides and 2-chloro-Narylacetamides catalyzed by SOCl2". . p. 77 - 89. Retrieved 2012/05/20.