4-(Trifluoromethyl)benzylamine

Base Information

• Chemical Name: 4-(Trifluoromethyl)benzylamine
• CAS No.: 3300-51-4
• Molecular Formula: C8H8F3N
• Molecular Weight: 175.153
• Hs Code.: 29339900
• European Community (EC) Number: 221-971-9
• DSSTox Substance ID: DTXSID60186637
• Nikkaji Number: J236.273B
• Wikidata: Q72511758
• ChEMBL ID: CHEMBL274193
• Mol file: 3300-51-4.mol

Synonyms:4-(Trifluoromethyl)benzylamine;3300-51-4;[4-(Trifluoromethyl)phenyl]methanamine;4-(trifluoromethyl)benzyl amine;(4-(trifluoromethyl)phenyl)methanamine;4-Trifluoromethylbenzylamine;1-[4-(trifluoromethyl)phenyl]methanamine;Benzenemethanamine, 4-(trifluoromethyl)-;p-trifluoromethylbenzyl amine;p-(Trifluoromethyl)benzylamine;p-trifluoromethylbenzylamine;4-Trifluoromethyl-benzylamine;MFCD00010220;EINECS 221-971-9;p-[Trifluoromethyl]benzylamine;(4-(trifluoromethyl)benzyl)amine;[4-(trifluoromethyl)benzyl]amine;4-Aminomethylbenzotrifluoride;U1H;p-trifluoromethyl benzylamine;4(trifluoromethyl)benzylamine;4-trifluoromethylbenzyl amine;4-Trifluoromethyl benzylamine;para-trifluoromethylbenzylamine;SCHEMBL108337;(4-trifluoromethyl)benzylamine;4-trifluoro methyl benzylamine;4-trifluoromethyl benzyl amine;4-trifluoromethyl-benzyl amine;CHEMBL274193;4-(trifluoromethyl)-benzylamine;PRDBLLIPPDOICK-UHFFFAOYSA-;DTXSID60186637;Benzylamine, p-(trifluoromethyl)-;HMS1733E14;(4-trifluoromethylphenyl)methanamine;CK1119;STK503662;4-(Trifluoromethyl)benzylamine, 97%;AKOS000264341;AC-4177;CS-W007523;FS-1140;P-(TRIFLUOROMETHYL)BENZYL AMINE;(4-(trifluoromethyl)phenyl) methanamine;NCGC00327831-01;[4-(Trifluoromethyl)phenyl]methanamine #;AC-24971;BP-10426;SY009296;AM20060785;FT-0616924;FT-0654318;T1508;EN300-23486;A23244;AB01000853-01;AB01000853-03;alpha-Amino-alpha',alpha',alpha'-trifluoro-p-xylene;W-106797;4-(Trifluoromethyl)benzylamine Hydrochloride, >/=98%;P-(Trifluoromethyl)benzylamine;1-[4-(Trifluoromethyl)phenyl]methanamine

Chemical Property of 4-(Trifluoromethyl)benzylamine

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.526mmHg at 25°C
• Melting Point: 43 °C
• Refractive Index: n20/D 1.464(lit.)
• Boiling Point: 191 °C at 760 mmHg
• PKA: 8.60±0.10(Predicted)
• Flash Point: 75 °C
• PSA: 26.02000
• Density: 1.225 g/cm³
• LogP: 2.86440
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 175.06088375
• Heavy Atom Count: 12
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

4-(Trifluoromethyl)benzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: Xi,C
• Statements: 36/37/38-34
• Safety Statements: 26-36-45-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN)C(F)(F)F
• Uses: 4-(Trifluoromethyl)benzylamine has been used in the synthesis of 3-[(2,4-dioxothiazolidin-5-yl)methyl]benzamide derivatives.

Technology Process of 4-(Trifluoromethyl)benzylamine

There total 24 articles about 4-(Trifluoromethyl)benzylamine 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: 99.0%

4-CF3C6H4CN (455-18-5) → p-Trifluoromethylbenzylamine (3300-51-4)

Guidance literature:

With hydrogen; aluminum oxide; silica gel; nickel; In methanol; ammonia; at 120 ℃; for 6h; under 7600 Torr;

DOI:10.1055/s-2001-17481

Reference yield: 93.6%

(E)-4-(trifluoromethyl)benzaldoxime (16939-49-4,24652-60-6,66046-34-2) → p-Trifluoromethylbenzylamine (3300-51-4)

Guidance literature:

With hydrogenchloride; In methanol;

Reference yield: 93.0%

1-(azidomethyl)-4-(trifluoromethyl)benzene (222716-19-0) → p-Trifluoromethylbenzylamine (3300-51-4)

Guidance literature:

With 1-phenylphospholane-1-oxide; 1,3-diphenyl-disiloxane; In tetrahydrofuran; at 23 ℃; for 24h; Reagent/catalyst; Solvent;

DOI:10.1055/s-0040-1707345

upstream raw materials:

4-CF₃C₆H₄CN

4-(trifluoromethyl)benzaldehyde oxime

C₁₄H₁₃NO

4-Trifluoromethylbenzaldehyde

Downstream raw materials:

1-(isocyanatomethyl)-4-(trifluoromethyl)benzene

5-nitro-N₂-(4-(trifluoromethyl)benzyl)pyridine-2,6-diamine

1-(4'-trifluoromethylbenzyl)-3-hydroxy-2-ethyl-4-pyridinone

N,N'-bis(3-bromophenyl)urea

Refernces

• 1、 Han, Bo,Jiao, Haijun,Wu, Lipeng,Zhang, Jiong. "Zirconium-hydride-catalyzed site-selective hydroboration of amides for the synthesis of amines: Mechanism, scope, and application". . p. 2059 - 2067. Retrieved 2021/09/02.
• 2、 Formenti, Dario,Mocci, Rita,Atia, Hanan,Dastgir, Sarim,Anwar, Muhammad,Bachmann, Stephan,Scalone, Michelangelo,Junge, Kathrin,Beller, Matthias. "A State-of-the-Art Heterogeneous Catalyst for Efficient and General Nitrile Hydrogenation". supporting information. p. 15589 - 15595. Retrieved 2020/10/02.