| Identification | More | [Name]
3-FLUORO-4-MORPHOLIN-4-YL-PHENYLAMINE | [CAS]
93246-53-8 | [Synonyms]
3-FLUORO-4-(4-MORPHOLINYL)-BENZEAMINE
3-FLUORO-4-(4-MORPHOLINYL)-BENZENAMINE
3-FLUORO-4-MORPHOLIN-4-YL-PHENYLAMINE
3-FLUORO-4-MORPHOLIN-ANILINE
3-FLUORO-4-MORPHOLINOANILINE
3-FLUORO-4-MORPHOLINOPHENYLAMINE
AKOS B033533
TIMTEC-BB SBB010944
3-Fluoro-4-(4-morpholinyl)aniline | [EINECS(EC#)]
676-003-1 | [Molecular Formula]
C10H13FN2O | [MDL Number]
MFCD02571270 | [Molecular Weight]
196.22 | [MOL File]
93246-53-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
121-123°C | [Boiling point ]
364.9±42.0 °C(Predicted) | [density ]
1.232±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
Chloroform, Methanol | [form ]
Solid | [pka]
6.53±0.40(Predicted) | [color ]
Off-White to Brown | [InChI]
InChI=1S/C10H13FN2O/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2 | [InChIKey]
FQGIBHQUVCGEAC-UHFFFAOYSA-N | [SMILES]
C1(N)=CC=C(N2CCOCC2)C(F)=C1 | [CAS DataBase Reference]
93246-53-8(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
Brown Solid | [Uses]
Intermediate in the synthesis of Linezolid (L466500). | [Definition]
ChEBI: 3-Fluoro-4-morpholinoaniline is a member of morpholines. | [Synthesis]
The general procedure for the synthesis of 3-fluoro-4-(4-morpholinyl)aniline from 3-fluoro-4-(4-morpholinyl)nitrobenzene was as follows: 4-(2-fluoro-4-nitrophenyl)morpholine D1 (42.6 g, 0.19 mol) was dissolved in ethanol (1.2 L), 10% Pd/C catalyst (4 g) was added, and hydrogenation was carried out at standard temperature and pressure (STP) for 18 hours. Upon completion of the reaction, the mixture was filtered through diatomaceous earth and the filtrate was evaporated under vacuum to afford the target product 3-fluoro-4-(4-morpholinyl)aniline (36.9 g, 100% yield) as a colorless solid. The structure of the product was confirmed by 1H NMR (CDCl3): δ 2.96 (4H, m), 3.55 (2H, br s), 3.84 (4H, m), 6.41 (2H, m), 6.79 (1H, m). | [References]
[1] Patent: WO2005/58317, 2005, A1. Location in patent: Page/Page column 35
[2] Patent: WO2005/58885, 2005, A2. Location in patent: Page/Page column 33
[3] Patent: WO2005/75461, 2005, A1. Location in patent: Page/Page column 100
[4] Patent: WO2006/2956, 2006, A1. Location in patent: Page/Page column 31
[5] Journal of Medicinal Chemistry, 2018, vol. 61, # 9, p. 4052 - 4066 |
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