| Identification | More | [Name]
3-(Trifluoromethyl)benzylamine | [CAS]
2740-83-2 | [Synonyms]
3-(TRIFLUOROMETHYL)BENZYLAMINE
[3-(TRIFLUOROMETHYL)PHENYL]METHANAMINE
M-TRIFLUOROMETHYL BENZYLAMINE
RARECHEM AL BW 0022
TIMTEC-BB SBB006691
3-(Trifluoromethyl)benzylamine, 97+%
3-(Trifluoromethyl)benzylamine 98%
3-(Trifluoromethyl)benzylamine98%
Benzenemethanamine, 3-(trifluoromethyl)-
1-[3-(trifluoromethyl)phenyl]methanamine
3-(Trifluoromethyl)benzenemethanamine | [EINECS(EC#)]
220-367-2 | [Molecular Formula]
C8H8F3N | [MDL Number]
MFCD00008117 | [Molecular Weight]
175.15 | [MOL File]
2740-83-2.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to yellowish liquid | [Melting point ]
176.5-178.5 °C | [Boiling point ]
93-97 °C (22 mmHg)
| [density ]
1.222 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.463(lit.)
| [Fp ]
160 °F
| [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [form ]
Liquid | [pka]
8.69±0.10(Predicted) | [color ]
Clear colorless to yellow | [Specific Gravity]
1.222 | [Water Solubility ]
insoluble | [Sensitive ]
Air Sensitive | [BRN ]
1102465 | [InChI]
InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2 | [InChIKey]
YKNZTUQUXUXTLE-UHFFFAOYSA-N | [SMILES]
C1(CN)=CC=CC(C(F)(F)F)=C1 | [CAS DataBase Reference]
2740-83-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R22:Harmful if swallowed.
R34:Causes burns. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 2735 8/PG 3
| [WGK Germany ]
2
| [Hazard Note ]
Corrosive | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29214980 |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless to yellowish liquid | [Uses]
3-(Trifluoromethyl)benzylamine has been used in the preparation of 6-substituted purines. | [Synthesis]
Synthesis of (6S)-3-{[(benzyloxy)carbonyl][3-(trifluoromethyl)benzyl]amino}-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-A]pyrimidine-6-carboxylic acid from 3-(trifluoromethyl)benzyl bromide and (S)-3-(((benzyloxy)carbonyl)amino)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine -6-carboxylic acid (12a) was performed in the following general steps: to a mixture of acid 1i (4.50 g, 13.7 mmol) in 70 mL THF at 0 °C was added 3-(trifluoromethyl)benzyl bromide (8.35 mL, 54.7 mmol), NaH (60% dispersed in oil, 1.64 g, 41.4 mmol) and TBAI (100 mg, catalytic amount). The reaction mixture was stirred at room temperature for 15 h. The reaction was then quenched by the addition of 50 mL of H2O. The volatile solvent was removed by rotary evaporation and the resulting aqueous solution was partitioned with Et2O. The organic phase was extracted with 20% saturated NaHCO3 solution (3 times). The combined organic extracts were acidified with 1N HCl and extracted with EtOAc (5 times). The combined organic extracts were washed with brine, dried (Na2SO4), and concentrated to give 6.18 g (93% yield) of 3-(trifluoromethyl)benzylamine (12a), a product that could be used in the next step without further purification. | [References]
[1] Patent: US2003/64962, 2003, A1 |
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