| Identification | More | [Name]
2-Amino-5-cyanobenzotrifluoride | [CAS]
327-74-2 | [Synonyms]
2-AMINO-5-CYANOBENZOTRIFLUORIDE
3-TRIFLUOROMETHYL-4-AMINOBENZONITRILE
4-AMINO-3-TRIFLUOROMETHYLBENZONITRILE
BUTTPARK 87\01-75
4-Cyano-2-(trifluoromethyl)aniline
2-Amino-5-cyanobenzotrifluoride 99%
2-Amino-5-cyanobenzotrifluoride99%
3-TRILFUOROMETHYL-4-AMINOBENZONITRILE | [EINECS(EC#)]
675-039-5 | [Molecular Formula]
C8H5F3N2 | [MDL Number]
MFCD00275473 | [Molecular Weight]
186.13 | [MOL File]
327-74-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
60-63°C | [Boiling point ]
100°C 0,1mm | [density ]
1.37±0.1 g/cm3(Predicted) | [Fp ]
100°C/0.1mm | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
-1.41±0.10(Predicted) | [color ]
White to Light Beige | [BRN ]
2970379 | [InChI]
InChI=1S/C8H5F3N2/c9-8(10,11)6-3-5(4-12)1-2-7(6)13/h1-3H,13H2 | [InChIKey]
MWLZJOBGDXBMBP-UHFFFAOYSA-N | [SMILES]
C(#N)C1=CC=C(N)C(C(F)(F)F)=C1 | [CAS DataBase Reference]
327-74-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,T | [Risk Statements ]
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/38:Irritating to eyes and skin . | [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 ]
3439 | [Hazard Note ]
Toxic/Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
2926907090 |
| Hazard Information | Back Directory | [Uses]
2-Amino-5-cyanobenzotrifluoride is used in the design and synthesis of 4-phenylpyrrole derivatives as androgen receptor antagonists which show efficacy against prostate cancer cells. | [Synthesis]
The general steps for synthesizing 2-trifluoromethyl-4-cyanobenzenamine from 1-(trifluoromethyl)-1,2-phenyliodono-3(1H)-one and p-aminobenzonitrile are as follows: in this embodiment of the method of preparing trifluoromethyl aromatic amine, p-cyanobenzenamine was selected as the aromatic amine, and the reaction time was 12 hours, and the rest of the reaction conditions and the post-processing steps were kept the same as in Example 28. The specific reaction process parameters were as follows: 1-(trifluoromethyl)-1,2-phenyliodono-3(1H)-one (0.5 mmol, 1.0 eq.), p-aminobenzonitrile (1.5 mmol, 3.0 eq.), nickel hydroxide (10 mol%), and potassium carbonate (1.5 mmol, 3.0 eq.) were dissolved in DMSO (2 mL), and the reaction was carried out for 2 hr at 35 °C. The subsequent reaction and post-treatment procedures were carried out with reference to Example 1. | [References]
[1] Organic Letters, 2018, vol. 20, # 13, p. 3732 - 3735
[2] Patent: CN108503552, 2018, A. Location in patent: Paragraph 0126-0130
[3] Organic Letters, 2014, vol. 16, # 6, p. 1768 - 1771 |
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