| Identification | Back Directory | [Name]
11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one | [CAS]
1012884-46-6 | [Synonyms]
Asenapine interMediate
6,7]oxepino[4,5-c]pyrrol-1-one
11-chloro-2,3-dihydro-2-Methyl-1H-dibenz[2,3
11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5...
11-Chloro-2,3-dihydro-2-Methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]
11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
11-Chloro-2,3-dihydro-2-Methyl-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
11-chloro-2-Methyl-2,3-dihydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one,11-chloro-2,3-dihydro-2-methyl-
11-chloro-2,3-dihydro-2-methyl-1H-dibenzo [2,3: 6,7] oxazolo [4,5-c] pyrrole-1-one
11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one USP/EP/BP | [EINECS(EC#)]
639-771-9 | [Molecular Formula]
C17H12ClNO2 | [MDL Number]
MFCD15145473 | [MOL File]
1012884-46-6.mol | [Molecular Weight]
297.74 |
| Chemical Properties | Back Directory | [Boiling point ]
530.8±50.0 °C(Predicted) | [density ]
1.43 | [storage temp. ]
Sealed in dry,Store in freezer, under -20°C | [pka]
-1.29±0.20(Predicted) | [Appearance]
Off-white to yellow Solid | [InChI]
InChI=1S/C17H12ClNO2/c1-19-9-13-11-4-2-3-5-14(11)21-15-7-6-10(18)8-12(15)16(13)17(19)20/h2-8H,9H2,1H3 | [InChIKey]
KXKUDCTZEMWVDQ-UHFFFAOYSA-N | [SMILES]
N1(C)CC2C3=CC=CC=C3OC3=CC=C(Cl)C=C3C=2C1=O |
| Hazard Information | Back Directory | [Synthesis]
Anhydrous aluminum chloride (5 g) was slowly added to a solution of monochlorobenzene (1 mL) containing 3-(5-chloro-2-phenoxyphenyl)-1-methylpyrrolidine-2,4-dione (1 g) at room temperature. The reaction system was warmed to 98 °C with continuous stirring for 1 hour. Upon completion of the reaction, the mixture was cooled to room temperature. Subsequently, a mixed solution consisting of water (50 mL) and concentrated hydrochloric acid (5 mL) was slowly added. After continuing to stir for 30 minutes, hexane (50 mL) was added. The mixture was stirred for 1 h. The mixture was filtered and the resulting solid was washed with hexane (15 mL) and dried in air at 30 °C for 15 h to afford 11-chloro-2,3-dihydro-2-methyl-1H-dibenzo[2,3:6,7]oxepino[4,5-C]pyrrol-1-one in 97% yield. | [References]
[1] Patent: WO2013/11461, 2013, A1. Location in patent: Page/Page column 11-13
[2] Patent: US2015/112083, 2015, A1. Location in patent: Paragraph 0053
[3] Organic Process Research and Development, 2008, vol. 12, # 2, p. 196 - 201 |
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