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[ CAS No. 1207456-01-6 ] {[proInfo.proName]}

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Chemical Structure| 1207456-01-6
Chemical Structure| 1207456-01-6
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Product Details of [ 1207456-01-6 ]

CAS No. :1207456-01-6 MDL No. :MFCD22666357
Formula : C19H14F2N6O Boiling Point : -
Linear Structure Formula :- InChI Key :HWGQMRYQVZSGDQ-HZPDHXFCSA-N
M.W : 380.35 Pubchem ID :135565082
Synonyms :
BMN-673;LT-673

Safety of [ 1207456-01-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1207456-01-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 1207456-01-6 ]
  • Downstream synthetic route of [ 1207456-01-6 ]

[ 1207456-01-6 ] Synthesis Path-Upstream   1~21

  • 1
  • [ 1373329-52-2 ]
  • [ 1207456-01-6 ]
YieldReaction ConditionsOperation in experiment
90.2% for 3 h; Reflux Compound 13 (36 g, 90.37 mmol), ethanol (450 mL) and 50percent hydrazine hydrate (28.96 g, 452 mmol) were added into a fourth reactor and heated to reflux for 3 hours. Then the solvent was removed by distillation under reduced pressure and the crude product was washed with water, filtered, washed with ethanol and recrystal to obtain the final product of compound 1 (talazoparib, white solid, 31 g, yield 90.2percent), HPLC purity: 99.5percent (0080) LC-MS (ESI) m/z: 381(M+1)+. (0081) 1H-NMR (400 MHz, DMSO-d6): δ (ppm): 3.68 (s, 3H), 4.99-5.06 (m, 2H), 6.92-6.96 (m, 1H), 7.08-7.11 (m, 1H), 7.16-7.2 (t, J=8.8 Hz, 2H), 7.49-7.53 (m, 2H), 7.75 (s, 1H), 7.83 (s, 1H), 12.35 (s, 1H).
77% With hydrazine hydrate In acetonitrile at 20℃; for 2 h; Example 17B 100399] To a solution of (2R,3No.)-methyl 7-fluoro-2-(4-fluoropheny l)-3 -( 1 -methyl- 1 H- 1 ,2,4- triazol-5-yl)-4-oxo- l ,2,3,4-tetrahydroquinoline-5-carboxylate (6a) or (2S,35)-methyl 7-fluoro-2-(4- fluoropheny l)-3-( 1 -methyl- 1 H- 1 ,2,4-triazol-5-yl)-4-oxo- 1 ,2,3 ,4-tetrahydroquinoline-5-carboxy late (6b) (446 g) in acetoi. itrile ( 10 volume) was added hydrazine monohydrate (2.9 eq.), and the se+ution stirred at room temperature for 2 hours. The resulting solution was then concentrated to a volume of 2 mL and filtered. The crude product was re-slurried with water (3~5 volumes) at 15~16 °C. After drying in vacuum at 50 °C, this affords the title compound as a white solid (329 g, yield 77percent, 99.93percent purity). LC- MS (ESI) m/z: 381(M+ 1 )+; Ή-NMR (400 MHz, DMSO-d6) δ (ppm): 3.681 (s, 3H), 4.99-5.06 (m, 2H), 6.92-6.96 (m, 1 H), 7.08-7.1 1 (m, 1 H), 7. 16-7.21 (t, J = 8.8 Hz, 2H), 7.49-7.53 (m, 2H), 7.75 (s, 1 H), 7.83 (s, l H), 12.35 (s, 1 H).
Reference: [1] Patent: US9708319, 2017, B1, . Location in patent: Page/Page column 13; 18; 19
[2] Patent: WO2013/28495, 2013, A1, . Location in patent: Paragraph 00399
[3] Patent: WO2012/54698, 2012, A1, . Location in patent: Page/Page column 43
  • 2
  • [ 1207454-56-5 ]
  • [ 1207456-01-6 ]
  • [ 1207456-00-5 ]
YieldReaction ConditionsOperation in experiment
90% With CHIRALPAK IA In methanol; diethylamineResolution of racemate Example 15 (8R,95 -5-fluoro-8-(4-f1uorophenyl)-9-( l -methyl-lH-l ,2,4-triazoI-5-yl)-8,9-dihydro-2H-pyrido[4,3,2- ife]phthalazin-3(7No.)-one ( 1 a) and (8S,9R)-5-fluoro-8-(4-fiuoropheny l)-9-( 1 -methyl- 1 H- 1 ,2,4-triazol-5- ( 1 ) ( la) ( l b) 100394] A chiral resolution of 5-fluoro-8-(4-fluorophenyl)-9-( l-methyl- l - l ,2,4-triazol-5-yl)-8,9- dihydro-2H-pyrido[4,3,2-ife]phthalazin-3(7//)-one (1) (52.5 g) was carried out on a super-fluid chromatography (SFC) unit using a CHIRALPAK 1A column and C(¾/ methano l/di ethy lam ine (80/30/0.1 ) as a mobi le phase. This afforded two enantiomers with retention times of 7.9 minute (23.6 g. recovery 90 percent, > 98 percent ee) and 9.5 minute (20.4 g, recovery 78 percent, > 98 percent ee) as analyzed with a CHIRALPAK IA 0.46 cm x 15 cm column and C02/methanol/diethylamtne (80/30/0. 1 ) as a mobile phase at a flow rate of 2 g/minute.
> 98 % ee With CHIRALPAK IA column In methanol; carbon dioxide; diethylamineResolution of racemate A chiral resolution of 5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one (1) (52.5 g) was carried out on a super-fluid chromatography (SFC) unit using a CHIRALPAK IA column and CO2/methanol/diethylamine (80/30/0.1) as a mobile phase. This afforded two enantiomers with retention times of 7.9 minute (23.6 g, recovery 90percent, >98percent ee) and 9.5 minute (20.4 g, recovery 78percent, >98percent ee) as analyzed with a CHIRALPAK IA 0.46 cm.x.15 cm column and CO2/methanol/diethylamine (80/30/0.1) as a mobile phase at a flow rate of 2 g/minute.
Reference: [1] Patent: WO2013/28495, 2013, A1, . Location in patent: Paragraph 00394
[2] Patent: US2010/35883, 2010, A1, . Location in patent: Page/Page column 104
[3] Patent: US2011/196153, 2011, A1, . Location in patent: Page/Page column 12
[4] Patent: WO2013/28495, 2013, A1, . Location in patent: Paragraph 00377
  • 3
  • [ 1207453-90-4 ]
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  • [ 1207456-00-5 ]
Reference: [1] Patent: US2011/196153, 2011, A1,
[2] Patent: US2011/196153, 2011, A1,
[3] Patent: US2011/196153, 2011, A1,
[4] Patent: US2011/196153, 2011, A1,
[5] Patent: WO2013/28495, 2013, A1,
  • 4
  • [ 1322616-34-1 ]
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  • [ 1207456-00-5 ]
Reference: [1] Patent: US2011/196153, 2011, A1,
[2] Patent: US2011/196153, 2011, A1,
[3] Patent: US2011/196153, 2011, A1,
[4] Patent: US2011/196153, 2011, A1,
[5] Patent: WO2013/28495, 2013, A1,
  • 5
  • [ 1322616-39-6 ]
  • [ 1207456-01-6 ]
  • [ 1207456-00-5 ]
Reference: [1] Patent: US2011/196153, 2011, A1,
[2] Patent: US2011/196153, 2011, A1,
[3] Patent: WO2013/28495, 2013, A1,
[4] Patent: WO2013/28495, 2013, A1,
  • 6
  • [ 459-57-4 ]
  • [ 1207456-01-6 ]
Reference: [1] Patent: WO2012/54698, 2012, A1,
[2] Patent: WO2013/28495, 2013, A1,
[3] Patent: WO2013/28495, 2013, A1,
[4] Patent: WO2013/28495, 2013, A1,
  • 7
  • [ 1322879-81-1 ]
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Reference: [1] Patent: WO2012/54698, 2012, A1,
[2] Patent: WO2013/28495, 2013, A1,
[3] Patent: WO2013/28495, 2013, A1,
[4] Patent: WO2013/28495, 2013, A1,
  • 8
  • [ 1322616-36-3 ]
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Reference: [1] Patent: WO2012/54698, 2012, A1,
[2] Patent: WO2013/28495, 2013, A1,
  • 9
  • [ 1322616-36-3 ]
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  • [ 1207456-00-5 ]
Reference: [1] Patent: US2011/196153, 2011, A1,
[2] Patent: WO2013/28495, 2013, A1,
  • 10
  • [ 1322616-37-4 ]
  • [ 1207456-01-6 ]
  • [ 1207456-00-5 ]
Reference: [1] Patent: US2011/196153, 2011, A1,
[2] Patent: WO2013/28495, 2013, A1,
  • 11
  • [ 1322616-38-5 ]
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  • [ 1207456-00-5 ]
Reference: [1] Patent: US2011/196153, 2011, A1,
[2] Patent: WO2013/28495, 2013, A1,
  • 12
  • [ 1322616-40-9 ]
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  • [ 1207456-00-5 ]
Reference: [1] Patent: US2011/196153, 2011, A1,
[2] Patent: WO2013/28495, 2013, A1,
  • 13
  • [ 1322616-39-6 ]
  • [ 1207456-01-6 ]
Reference: [1] Patent: WO2013/28495, 2013, A1,
[2] Patent: WO2013/28495, 2013, A1,
  • 14
  • [ 1322879-81-1 ]
  • [ 1207456-01-6 ]
  • [ 1207456-00-5 ]
Reference: [1] Patent: WO2013/28495, 2013, A1,
[2] Patent: WO2013/28495, 2013, A1,
[3] Patent: WO2013/28495, 2013, A1,
  • 15
  • [ 459-57-4 ]
  • [ 1207456-01-6 ]
  • [ 1207456-00-5 ]
Reference: [1] Patent: WO2013/28495, 2013, A1,
[2] Patent: WO2013/28495, 2013, A1,
[3] Patent: WO2013/28495, 2013, A1,
  • 16
  • [ 1373431-65-2 ]
  • [ 1207456-01-6 ]
Reference: [1] Patent: WO2012/54698, 2012, A1, . Location in patent: Page/Page column 44-45; 54
  • 17
  • [ 1322616-40-9 ]
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Reference: [1] Patent: WO2013/28495, 2013, A1,
  • 18
  • [ 884497-46-5 ]
  • [ 1207456-01-6 ]
Reference: [1] Patent: US9708319, 2017, B1,
  • 19
  • [ 80646-00-0 ]
  • [ 1207456-01-6 ]
Reference: [1] Patent: US9708319, 2017, B1,
  • 20
  • [ 1207453-95-9 ]
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  • [ 1207456-00-5 ]
Reference: [1] Patent: WO2013/28495, 2013, A1,
  • 21
  • [ 1207454-57-6 ]
  • [ 1207456-01-6 ]
  • [ 1207456-00-5 ]
Reference: [1] Patent: WO2013/28495, 2013, A1,
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