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| | 4-(Trifluoromethyl)benzamide Basic information |
| Product Name: | 4-(Trifluoromethyl)benzamide | | Synonyms: | Benzamide, 4-(trifluoromethyl)-;N-(4-Trifluoromethyl)benzamide;p-Trifluoromethylbenzamide;4-(TRIFLUOROMETHYL)BENZAMIDE;TIMTEC-BB SBB002331;4-(Trifluoromethyl)Benzamide p-(Trifluoromethyl)Benzamide;4-(TRIFLUOROMETHYL)BENZAMIDE 99%;4-(Trifluoromethyl)benzamide, 98+% | | CAS: | 1891-90-3 | | MF: | C8H6F3NO | | MW: | 189.13 | | EINECS: | 217-571-9 | | Product Categories: | Fluorine series | | Mol File: | 1891-90-3.mol |  |
| | 4-(Trifluoromethyl)benzamide Chemical Properties |
| Melting point | 184-186 °C(lit.) | | Boiling point | 254.2±40.0 °C(Predicted) | | density | 1.3305 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | pka | 15.36±0.50(Predicted) | | form | powder to crystal | | color | White to Almost white | | BRN | 2098929 | | CAS DataBase Reference | 1891-90-3(CAS DataBase Reference) | | NIST Chemistry Reference | 4-CF3-C6H4CONH2(1891-90-3) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36-37/39 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 2924297099 |
| | 4-(Trifluoromethyl)benzamide Usage And Synthesis |
| Chemical Properties | White to light yellow crystal powde | | Synthesis | Synthesis of compound C: Ammonia (2 mL) was slowly added dropwise to 4-trifluoromethylbenzoyl chloride (417 mg, 2 mmol) at room temperature while maintaining stirring. After the reaction continued for 3 h, the completion of the reaction was confirmed by thin layer chromatography (TLC, unfolding agent ratio of ethyl acetate:hexane = 1:2). The reaction mixture was poured into water (10 mL) and subsequently extracted with ethyl acetate (10 mL x 3). The combined ethyl acetate layers were washed sequentially with water (10 mL × 2) and saturated saline (10 mL), dried over anhydrous magnesium sulfate and filtered. The filtrate was distilled under reduced pressure to remove the solvent to give the crude product (355 mg, 2.0 mmol). The crude product was purified by solvent recrystallization from ethyl acetate/hexane mixture to give compound C (white needle-like crystals, 359 mg) in 95% yield. The melting point of the product was 186.5-187.5 °C. 1H-NMR (300 MHz, DMSO-d6) δ: 7.63, 8.19 (both broad peaks, 1H, NH or OH), 8.06 (double peak, 2H, J = 8.0 Hz, Ar-H), 7.84 (double peak, 2H, J = 8.0 Hz, Ar-H). | | References | [1] Organic Process Research and Development, 2007, vol. 11, # 6, p. 1010 - 1014
[2] Patent: EP2070908, 2009, A1. Location in patent: Page/Page column 9; 13
[3] Journal of Medicinal Chemistry, 2008, vol. 51, # 8, p. 2400 - 2411
[4] Synthetic Communications, 2010, vol. 40, # 23, p. 3538 - 3543
[5] Ukrainskii Khimicheskii Zhurnal (Russian Edition), 1957, vol. 23, p. 634 |
| | 4-(Trifluoromethyl)benzamide Preparation Products And Raw materials |
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