| Identification | Back Directory | [Name]
2-methyl-4-（1,1,1,2,3,3,3-heptafluoro-2-propyl）aniline | [CAS]
238098-26-5 | [Synonyms]
2-Methyl-4-heptafluoroisopropylaniline
2-Methyl-4-(perfluoro-2-propyl)aniline
2-methyl-4-(perfluoropropan-2-yl)aniline
2-methyl-4-（1,1,1,2,3,3,3-heptafluoro-2-propyl）aniline
4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylaniline
Benzenamine, 2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]- | [Molecular Formula]
C10H8F7N | [MDL Number]
MFCD13185889 | [MOL File]
238098-26-5.mol | [Molecular Weight]
275.17 |
| Chemical Properties | Back Directory | [Boiling point ]
200 ºC | [density ]
1.401 | [Fp ]
83 ºC | [storage temp. ]
Keep in dark place,Inert atmosphere,Store in freezer, under -20°C | [solubility ]
Chloroform (Slightly), DMSO (Slightly) | [form ]
Oil | [pka]
2.52±0.10(Predicted) | [color ]
Light Brown | [InChI]
InChI=1S/C10H8F7N/c1-5-4-6(2-3-7(5)18)8(11,9(12,13)14)10(15,16)17/h2-4H,18H2,1H3 | [InChIKey]
QVAUOEHPYOFAQA-UHFFFAOYSA-N | [SMILES]
C1(N)=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1C | [EPA Substance Registry System]
4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methylaniline (238098-26-5) |
| Hazard Information | Back Directory | [Uses]
2-Methyl-4-(1,1,1,2,3,3,3-heptafluoro-2-propyl)aniline is a useful research chemical. | [Synthesis]
To a 1000 mL pressure reactor was added 107.1 g of o-toluidine followed by 300 mL of water and 300 mL of methyl tertiary butyl ether. Next, the initiator sodium dithionite, a catalytic amount of tetrabutylammonium sulfate and an equimolar amount of sodium carbonate were added. The temperature was slowly increased to 50°C under stirring conditions. Then, an equimolar amount of 2-bromoheptafluoropropane was slowly introduced into a pressure-resistant reactor and the addition process was completed in about 2 hours. The reaction was continued under holding conditions and the reaction process was monitored by liquid chromatography. After complete conversion of the feedstock, the reaction system was cooled to room temperature and the reaction pressure was slowly released to atmospheric pressure. The organic phase was separated and washed with water, followed by dilute hydrochloric acid and drying of the organic phase. The solvent in the organic phase was removed by evaporation to afford the intermediate 2-methyl-4-heptafluoroisopropylaniline (B-1) with 95% purity. This intermediate can be used in the next step of the reaction without further purification. | [References]
[1] Patent: CN104628639, 2018, B. Location in patent: Paragraph 0145; 0149; 0150
[2] Patent: CN106748807, 2017, A. Location in patent: Paragraph 0033; 0034; 0035
[3] Patent: US2004/92762, 2004, A1. Location in patent: Page 6
[4] Patent: JP2015/59097, 2015, A. Location in patent: Paragraph 0071-0073
[5] Patent: JP2018/58843, 2018, A. Location in patent: Paragraph 0071-0077 |
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