| Identification | Back Directory | [Name]
Ethanone,1-[2-amino-4-(trifluoromethyl)phenyl]- | [CAS]
37885-07-7 | [Synonyms]
2'-Amino-4'-(trifluoromethyl)acetophenone
1-[2-aMino-4-(trifluoroMethyl)phenyl]-Ethanone
Ethanone,1-[2-amino-4-(trifluoromethyl)phenyl]-
1-[2-amino-4-(trifluoromethyl)phenyl]ethan-1-one
1-[2-Amino-4-(trifluoromethyl)phenyl]ethan-1-one, 2-Acetyl-5-(trifluoromethyl)aniline, 4-Acetyl-3-aminobenzotrifluoride | [Molecular Formula]
C9H8F3NO | [MDL Number]
MFCD11113374 | [MOL File]
37885-07-7.mol | [Molecular Weight]
203.16 |
| Chemical Properties | Back Directory | [Boiling point ]
274℃ | [density ]
1.296 | [Fp ]
120℃ | [storage temp. ]
2-8°C(protect from light) | [pka]
1.08±0.10(Predicted) | [Appearance]
Light yellow to yellow Solid | [InChI]
InChI=1S/C9H8F3NO/c1-5(14)7-3-2-6(4-8(7)13)9(10,11)12/h2-4H,13H2,1H3 | [InChIKey]
ALHLVWOGPMHZHJ-UHFFFAOYSA-N | [SMILES]
C(=O)(C1=CC=C(C(F)(F)F)C=C1N)C |
| Hazard Information | Back Directory | [Synthesis]
c) To a mixture of 1-(2-nitro-4-trifluoromethylphenyl)ethanone (1.44 g, 6.18 mmol) in EtOH (30 mL) and H2O (15 mL) was added iron powder (1.72 g, 30.88 mmol) and NH4Cl (165 mg, 3.09 mmol) and the reaction mixture was stirred vigorously at 90 °C for 30 min. The reaction mixture was filtered while hot and the residue was washed with EtOAc and additional H2O was added. The phases were separated and the organic phase was washed sequentially with water and brine, dried over MgSO4 and concentrated under reduced pressure to remove the solvent. The residue was filtered through a silica gel pad (eluent: EtOAc/PE=1:1) to afford 1-(2-amino-4-trifluoromethylphenyl)ethanone (1.20 g, 96%) as a yellow solid. | [References]
[1] Patent: US2006/63841, 2006, A1. Location in patent: Page/Page column 37; 10/12
[2] Tetrahedron Letters, 1990, vol. 31, # 8, p. 1093 - 1096
[3] Patent: US2007/238700, 2007, A1. Location in patent: Page/Page column 35 |
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