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CS-W001157 4
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4-Amino-2,3-dihydro-1H-inden-1-one

  • CAS No. 51135-91-2

  • Cat. No. CS-0001931
  • Purity≥98%
  • MDL No.MFCD06656902

*For research and further manufacturing use only, not for direct human use.

4-Amino-2,3-dihydro-1H-inden-1-one|CS-0001931

Structure of 51135-91-2

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General Information

  • CAS No. 51135-91-2
  • Cat. No. CS-0001931
  • Purity ≥98%
  • MDL No. MFCD06656902
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO
  • Molecular Weight 147.17
  • Synonym(s) 4-aminoindanone
  • SMILES O=C1C2=CC=CC(N)=C2CC1

Description

4-Amino-2,3-dihydro-1H-inden-1-one features a fused bicyclic scaffold with a primary amine and carbonyl group in close spatial proximity. This electron-rich heterocycle integrates readily into synthetic routes for bioactive compounds, offering enhanced solubility and stability under standard conditions.

Application

4-Amino-2,3-dihydro-1H-inden-1-one serves as a versatile scaffold in medicinal chemistry, enabling the synthesis of indoline-based bioactive molecules. Its amino group facilitates nucleophilic substitution and reductive amination, while the ketone functionality supports imine formation and conjugate addition. The compound exhibits bench stability and compatibility with common protecting group strategies, making it suitable for multi-step synthesis and modular derivatization in API development.

Synthesis

  • Route1

    References

    • Comess, Kenneth M.; Erickson, Scott A.; Henkin, Jack; Kalvin, Douglas M.; Kawai, Megumi; Kim, Ki H.; BaMaung, Nwe Y.; Park, Chang Hoon; Sheppard, George S.; Vasudevan, Anil; Wang, Jieyi; Barnes, David M.; Fidanze, Steve D.; Kolaczkowski, Lawrence; Mantei, Robert A.; Park, David C.; Sanders, William J.; Tedrow, Jason S.; Wang, Gary T. Patent: US2004/167128 A1, 2004 ; Location in patent: Page 39 ;
  • Route2

    References

    • Hoyer Journal fuer Praktische Chemie (Leipzig), 1934 , vol. <2> 139, p. 94
  • Route3
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      85397-21-3
    • ~%
    • In-stock
      4-Amino-2,3-dihydro-1H-inden-1-one|CS-0001931
      51135-91-2

    References

    • Hoyer Journal fuer Praktische Chemie (Leipzig), 1934 , vol. <2> 139, p. 94

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   43.09
  • LogP   1.3977
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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