3,5-Bis(trifluoromethyl)benzylamine

Base Information

• Chemical Name: 3,5-Bis(trifluoromethyl)benzylamine
• CAS No.: 85068-29-7
• Molecular Formula: C9H7F6N
• Molecular Weight: 243.152
• Hs Code.: 29214990
• European Community (EC) Number: 285-290-9
• UNII: W9RP2724XX
• DSSTox Substance ID: DTXSID70234133
• Nikkaji Number: J309.646G
• Wikidata: Q72447227
• Mol file: 85068-29-7.mol

Synonyms:3,5-Bis(trifluoromethyl)benzylamine;85068-29-7;(3,5-Bis(trifluoromethyl)phenyl)methanamine;[3,5-Bis(trifluoromethyl)phenyl]methanamine;3,5-di(trifluoromethyl)benzylamine;3,5-bis(trifluoromethyl)benzyl amine;Benzenemethanamine, 3,5-bis(trifluoromethyl)-;C9H7F6N;3,5-bis(trifluoromethyl)benzenemethanamine;W9RP2724XX;3,5-ditrifluoromethylbenzylamine;EINECS 285-290-9;3,5-bis-(trifluoromethyl)benzylamine;[[3,5-Bis(trifluoromethyl)phenyl]methyl]amine;((3,5-BIS(TRIFLUOROMETHYL)PHENYL)METHYL)AMINE;[3,5-bis(trifluoromethyl)phenyl]methylamine;MFCD00009909;UNII-W9RP2724XX;SCHEMBL42797;3,5-bistrifluoromethylbenzylamine;DTXSID70234133;3,5-bis-trifluoromethylbenzylamine;3,5-bistrifluoromethyl benzylamine;C9-H7-F6-N;3,5 bis(trifluoromethyl)benzylamine;3,5-bis-trifluoromethyl benzylamine;3,5-bis-trifluoromethyl-benzylamine;3,5-bistrifluoromethyl benzyl amine;3, 5-bis(trifluoromethyl)benzylamine;3,5-bis triflouromethyl benzyl amine;3,5-bis(trifluoromethyl) benzylamine;[3,5-bis(trifluoromethyl)benzyl]amine;3,5-bis-(trifluoromethyl) benzylamine;AKOS015852712;AB01007;AC-2334;AM82942;CS-W012754;DS-1758;PS-7543;AC-26226;A6923;B2949;FT-0614461;[3,5-Bis(trifluoromethyl)phenyl]methanamine #;EN300-204022;3,5-Bis(trifluoromethyl)benzylamine, technical grade, 80%;3,5-Bis(trifluoromethyl)benzylamine, technical, ~80% (GC)

Chemical Property of 3,5-Bis(trifluoromethyl)benzylamine

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Vapor Pressure: 1.86mmHg at 25°C
• Melting Point: 50-55 °C(lit.)
• Boiling Point: 165.5 °C at 760 mmHg
• PKA: 8.32±0.10(Predicted)
• Flash Point: 78.3 °C
• PSA: 26.02000
• Density: 1.378 g/cm³
• LogP: 3.88320
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Air Sensitive
• Solubility.: soluble in Methanol
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 243.04826820
• Heavy Atom Count: 16
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

3,5-Bis(trifluoromethyl)benzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-21/22
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN
• Uses: 3,5-bis(Trifluoromethyl)benzylamine is used in preparation of nitrile by catalytic oxidation of amines.

Technology Process of 3,5-Bis(trifluoromethyl)benzylamine

There total 11 articles about 3,5-Bis(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: 100.0%

N-benzyl-1-(3,5-bis(trifluoromethyl)phenyl)methanamine (511256-30-7) → 3,5-bis-trifluoromethylbenzylamine (85068-29-7)

Guidance literature:

With water; hydrogen; palladium on activated charcoal; In methanol; at 60 ℃; for 12h; under 3750.3 Torr;

DOI:10.1021/ol034014w

Reference yield: 94.2%

palladium (7440-05-3) + (E)-3,5-bis(trifluoromethyl)benzaldehyde oxime → 3,5-bis-trifluoromethylbenzylamine (85068-29-7)

Guidance literature:

With hydrogenchloride; In methanol;

Reference yield: 92.1%

ammoniacal 2-propanol + 3,5-bis(trifluoromethyl)benzonitrile (27126-93-8) → 3,5-bis-trifluoromethylbenzylamine (85068-29-7)

Guidance literature:

upstream raw materials:

3,5-bis(trifluoromethyl)benzonitrile

N-benzyl-1-(3,5-bis(trifluoromethyl)phenyl)methanamine

3,5-Bis(trifluoromethyl)benzaldehyde

Benzyl-[1-(3,5-bis-trifluoromethyl-phenyl)-meth-(E)-ylidene]-amine

Downstream raw materials:

N-[3,5-bis(trifluoromethyl)benzyl]-5-(4-methylphenyl)-8-oxo-8H-pyrano[3,4-b]pyridine-6-carboxamide

5-Bromo-2-methylsulfanyl-pyrimidine-4-carboxylic acid 3,5-bis-trifluoromethyl-benzylamide

N-α-tert-butoxycarbonyl-N-3,5-bis(trifluoromethyl)benzyltryptophan amide

3-(2-chloro-pyridin-3-yl)-4-oxo-3,4-dihydro-quinazoline-2-carboxylic acid 3,5-bis-trifluoromethyl-benzylamide

Refernces

• 1、 Zhao, Ziming,Long, Yu,Luo, Sha,Wu, Wei,Ma, Jiantai. "Preparation of a magnetic mesoporous Fe3O4-Pd@TiO2 photocatalyst for the efficient selective reduction of aromatic cyanides". . p. 6294 - 6302. Retrieved 2019/04/25.
• 2、 Ye, Hebo,Hai, Yu,Ren, Yulong,You, Lei. "Versatile Dynamic Covalent Assemblies for Probing π-Stacking and Chirality Induction from Homotopic Faces". supporting information. p. 3804 - 3809. Retrieved 2017/03/27.