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[ CAS No. 860624-87-9 ] {[proInfo.proName]}

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Chemical Structure| 860624-87-9
Chemical Structure| 860624-87-9
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Product Details of [ 860624-87-9 ]

CAS No. :860624-87-9 MDL No. :MFCD12755384
Formula : C15H18BrNO4 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 356.21 Pubchem ID :-
Synonyms :

Safety of [ 860624-87-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 860624-87-9 ]

* 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 [ 860624-87-9 ]
  • Downstream synthetic route of [ 860624-87-9 ]

[ 860624-87-9 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 860624-87-9 ]
  • [ 860624-91-5 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 8, p. 2255 - 2258
[2] Patent: WO2008/118724, 2008, A1,
  • 2
  • [ 860624-87-9 ]
  • [ 860624-88-0 ]
YieldReaction ConditionsOperation in experiment
100% at 20℃; for 16 h; 1-(1 ,1-dimethylethyl) 7-methyl 5-bromo-2,3-dihydro-1 H-indole-1 , 7-dicarboxylate (9 g, 25 mmol) was dissolved in trifluoroacetic acid (6 ml.) and stirred at room temperature for 16 hours. Dichloromethane and sodium hydroxide solution (2 M) were added and the organic layer washed twice with sodium hydroxide solution until the aqueous layer pH > 7. The organic layer was then concentrated in vacuo to give 6.5 g (100percent) of the title compound as a brown solid.1 H NMR (400 MHz, DMSO-D6) δ ppm 2.99 (t, J=8.5 Hz, 2 H) 3.61 (t, J=8.4 Hz, 2 H) 3.78 (s, 3 H) 6.72 (s, 1 H) 7.28 (d, J=1 Hz, 1 H) 7.46 (d, J=2 Hz, 1 H); MS m/z 256/258 (1 :1 ratio) (M+1)+ Rt 3.32 min.
100% at 20℃; for 16 h; Inert atmosphere Intermediate 7:Methyl 5-bromo-2,3-dihydro-1 H-indole-7-carboxylate.1 -(1 ,1 -dimethylethyl) 7-methyl 5-bromo-2,3-dihydro-1 H-indole-1 , 7-dicarboxylate (9 g, 25 mmol) was dissolved in trifluoroacetic acid (6 ml.) and stirred at room temperature for 16 hours. Dichloromethane and sodium hydroxide solution (2 M) were added and the organic layer washed twice with sodium hydroxide solution until the aqueous layer pH > 7. The <n="71"/>organic layer was then concentrated in vacuo to give 6.5 g (100percent) of the title compound as a brown solid.1 H NMR (400 MHz, DMSO-d6) δ ppm 2.99 (t, J=8.5 Hz, 2 H) 3.61 (t, J=8.4 Hz, 2 H) 3.78 (s, 3 H) 6.72 (s, 1 H) 7.28 (d, J=1 Hz, 1 H) 7.46 (d, J=2 Hz, 1 H); MS m/z 256/258 (1 :1 ratio) (M+1 )+ Rt 3.32 min.
96% at 25℃; for 16 h; A mixture of methyl 5-bromo-1,N-(t-butoxycarbonyl)indoline-7-carboxylate (19.5 g, 54.7 mmol) in TFA (15 mL) was stirred at 25 °C for 16 hours. TLC (petroleum ether: ethyl acetate=10:1, Rf = 0.35) indicated that starting material was consumed completely and a major new spot with lower polarity was detected. The reaction was diluted with DCM (100 mL) and adjusted to pH=9 with sat. NaHCO3. The organic phase was separated and concentrated under reduced pressure to give compound methyl 5-bromoindoline-7-carboxylate (13.5 g, 96percent yield) as a brown solid. 1H NMR (400 MHz DMSO) = 7.45 (s, 1H), 7.27 (s, 1H), 6.72 (s, 1H), 3.77 (s, 3H), 3.61(m, 2H), 2.99 (m, 2H). ESI-MS (m/z): 260.0 (M+H)+
Reference: [1] Patent: WO2007/62318, 2007, A2, . Location in patent: Page/Page column 38
[2] Patent: WO2008/118724, 2008, A1, . Location in patent: Page/Page column 68-69
[3] ACS Medicinal Chemistry Letters, 2018, vol. 9, # 12, p. 1164 - 1169
[4] Patent: WO2017/120429, 2017, A1, . Location in patent: Page/Page column 268
[5] Patent: US2009/143372, 2009, A1,
[6] Patent: WO2005/67923, 2005, A1, . Location in patent: Page/Page column 38
[7] Patent: WO2006/34317, 2006, A2, . Location in patent: Page/Page column 73
[8] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 8, p. 2255 - 2258
  • 3
  • [ 860624-87-9 ]
  • [ 860624-89-1 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 8, p. 2255 - 2258
[2] Patent: WO2017/120429, 2017, A1,
[3] Patent: WO2008/118724, 2008, A1,
[4] ACS Medicinal Chemistry Letters, 2018,
  • 4
  • [ 860624-87-9 ]
  • [ 860624-90-4 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 8, p. 2255 - 2258
[2] Patent: WO2008/118724, 2008, A1,
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