2-(Trifluoromethyl)benzylamine

Base Information

• Chemical Name: 2-(Trifluoromethyl)benzylamine
• CAS No.: 3048-01-9
• Molecular Formula: C8H8F3N
• Molecular Weight: 175.153
• Hs Code.: 29214990
• European Community (EC) Number: 221-258-2
• DSSTox Substance ID: DTXSID30184549
• Nikkaji Number: J205.354C
• Wikidata: Q72511760
• ChEMBL ID: CHEMBL13126
• Mol file: 3048-01-9.mol

Synonyms:2-(Trifluoromethyl)benzylamine;3048-01-9;2-Trifluoromethylbenzylamine;(2-(Trifluoromethyl)phenyl)methanamine;[2-(Trifluoromethyl)phenyl]methanamine;o-Trifluoromethylbenzylamine;o-trifluoromethylbenzyl amine;2-(Trifluoromethyl)benzyl amine;Benzenemethanamine, 2-(trifluoromethyl)-;2-(Aminomethyl)benzotrifluoride;2-Trifluoromethyl-benzylamine;1-[2-(trifluoromethyl)phenyl]methanamine;o-(trifluoromethyl)benzylamine;2-trifluoromethylbenzyl amine;SCHEMBL43013;2-Trifluoromethyl benzylamine;CHEMBL13126;2-trifluoromethyl-benzyl amine;2-(trifluoromethyl)-benzylamine;ZSKQIFWUTUZAGF-UHFFFAOYSA-;DTXSID30184549;(2-trifluoromethylphenyl)methanamine;EINECS 221-258-2;2-(Trifluoromethyl)benzenemethanamine;BBL037740;CK2428;MFCD00010297;STK503364;2-(Trifluoromethyl)benzylamine, 98%;2-(trifluoromethyl)-benzenemethanamine;AKOS000129836;AC-2347;[(2-trifluoromethyl-phenyl)methyl]amine;[2-(Trifluoromethyl)phenyl]methanamine #;{[2-(trifluoromethyl)phenyl]methyl}amine;AM20060809;CS-0030560;FT-0608965;T2315;EN300-34311;J-017974;Z57969857

Chemical Property of 2-(Trifluoromethyl)benzylamine

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.971mmHg at 25°C
• Refractive Index: n20/D 1.471(lit.)
• Boiling Point: 178.8 °C at 760 mmHg
• PKA: 8.27±0.10(Predicted)
• Flash Point: 69.4 °C
• PSA: 26.02000
• Density: 1.225 g/cm³
• LogP: 2.86440
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Air Sensitive
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 175.06088375
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

2-(Trifluoromethyl)benzylamine >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 22-34-52/53
• Safety Statements: 26-36/37/39-45-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CN)C(F)(F)F

Technology Process of 2-(Trifluoromethyl)benzylamine

There total 10 articles about 2-(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%

2-(trifluoromethyl)benzonitrile (447-60-9) → o-trifluoromethylbenzylamine (3048-01-9)

Guidance literature:

With ammonia; hydrogen; In water; isopropyl alcohol; at 100 ℃; for 24h; under 15001.5 Torr; Autoclave;

DOI:10.1002/chem.202001866

Reference yield:

2-(trifluoromethyl)benzamide (360-64-5) → o-trifluoromethylbenzylamine (3048-01-9) + 2-(trifluoromethyl)benzonitrile (447-60-9)

Guidance literature:

2-(trifluoromethyl)benzamide; With titanium(IV) isopropylate; In tetrahydrofuran; at 60 ℃;

With hydrogenchloride; In water;

With sodium hydroxide; In water; pH=> 11;

DOI:10.1016/j.tetlet.2011.05.109

Reference yield:

2-(trifluoromethyl)benzamide (360-64-5) → o-trifluoromethylbenzylamine (3048-01-9) + 2-(trifluoromethyl)benzonitrile (447-60-9) + N-(2-(trifluoromethyl)benzyl)-1-(2-(trifluoromethyl)phenyl)methanimine (1280540-91-1)

Guidance literature:

2-(trifluoromethyl)benzamide; With titanium(IV) isopropylate; In toluene; at 100 ℃;

With hydrogenchloride; In water;

With sodium hydroxide; In water; pH=> 11;

DOI:10.1016/j.tetlet.2011.05.109

upstream raw materials:

2-(trifluoromethyl)benzonitrile

2-(trifluoromethyl)benzamide

o-trifluoromethylbenzyl bromide

1-(azidomethyl)-2-(trifluoromethyl)benzene

Downstream raw materials:

N-(2-Trifluoromethyl-benzyl)-guanidine

1-(2-Hydroxy-ethyl)-1-methyl-3-(2-trifluoromethyl-benzyl)-thiourea

1-(isothiocyanatomethyl)-2-(trifluoromethyl)benzene

2-Trifluoromethylbenzaldehyde

Refernces

• 1、 Schneek?nig, Jacob,Tannert, Bianca,Hornke, Helen,Beller, Matthias,Junge, Kathrin. "Cobalt pincer complexes for catalytic reduction of nitriles to primary amines". . p. 1779 - 1783. Retrieved 2019/04/27.
• 2、 Miura, Masanori,Feng, Chen-Guo,Ma, Sandy,Yu, Jin-Quan. "Pd(II)-catalyzed ortho-trifluoromethylation of benzylamines". supporting information. p. 5258 - 5261. Retrieved 2013/11/06.