| Identification | More | [Name]
3-Methoxy-5-(trifluoromethyl)aniline | [CAS]
349-55-3 | [Synonyms]
3-AMINO-5-METHOXYBENZOTRIFLUORIDE
3-METHOXY-5-(TRIFLUOROMETHYL)ANILINE
3-METHOXY-5-TRIFLUOROMETHYL-PHENYLAMINE
5-METHOXY-ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIDINE
5-TRIFLUOROMETHYL-M-ANISIDINE
TIMTEC-BB SBB000295
5-methoxy-α,α,α-trifluoro-m-toluidine
3-Amino-5-methoxybenzotrifluoride 97%
3-Methoxy-5-(trifluoromethyl)aniline 97%
3-Amino-5-methoxybenzotrifluoride97%
5-TRIFLUOROMETHYL-M-ANISIDINE---POWDER, 96%--- | [EINECS(EC#)]
206-487-8 | [Molecular Formula]
C8H8F3NO | [MDL Number]
MFCD00000393 | [Molecular Weight]
191.15 | [MOL File]
349-55-3.mol |
| Chemical Properties | Back Directory | [Melting point ]
50-52 °C (lit.) | [Boiling point ]
242.0±40.0 °C(Predicted) | [density ]
1.280±0.06 g/cm3(Predicted) | [Fp ]
>230 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
2.95±0.10(Predicted) | [color ]
Light yellow to Brown | [InChI]
1S/C8H8F3NO/c1-13-7-3-5(8(9,10)11)2-6(12)4-7/h2-4H,12H2,1H3 | [InChIKey]
VTFGJEYZCUWSAM-UHFFFAOYSA-N | [SMILES]
COc1cc(N)cc(c1)C(F)(F)F | [CAS DataBase Reference]
349-55-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
PG3 | [WGK Germany ]
3
| [Hazard Note ]
Harmful | [HazardClass ]
6.1 | [HS Code ]
29222990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
3-Methoxy-5-(trifluoromethyl)aniline was used in the synthesis of spleen tyrosine kinase inhibitors based on the phenylamino pyrimidine thiazole. | [Synthesis]
General procedure for the synthesis of 3-methoxy-5-(trifluoromethyl)aniline from 3-nitro-5-(trifluoromethyl)anisole: 1-methoxy-3-nitro-5-(trifluoromethyl)benzene (8.50 g, 38.4 mmol) and 10% Pd/C catalyst (2.00 g, 1.88 mmol) were placed in methanol (40 mL), and the reaction was stirred at room temperature in a hydrogen atmosphere. The reaction was carried out for 24 hours. Upon completion of the reaction, the catalyst was removed by filtration through a diatomaceous earth pad and the filtrate was concentrated under reduced pressure to afford the title compound 3-methoxy-5-trifluoromethylaniline (7.2 g) as an orange solid. The product was analyzed by LC-MS (ESI): m/z [M+H]+ calculated value, retention time 1.56 min. | [References]
[1] Synthesis, 2006, # 19, p. 3316 - 3340
[2] Patent: US2005/54850, 2005, A1
[3] Journal of the Chemical Society, 1951, p. 2013,2016
[4] Journal of the American Chemical Society, 1955, vol. 77, p. 2284,2285
[5] Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1977, p. 14 - 17 |
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