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CS-W001157 4
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3-Cyanochromone

  • CAS No. 50743-17-4

  • Cat. No. CS-0088469
  • Purity≥98%
  • MDL No.MFCD00052604

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

3-Cyanochromone|CS-0088469

Structure of 50743-17-4

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General Information

  • CAS No. 50743-17-4
  • Cat. No. CS-0088469
  • Purity ≥98%
  • MDL No. MFCD00052604
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₅NO₂
  • Molecular Weight 171.16
  • Synonym(s) None
  • SMILES N#CC1=COC=2C=CC=CC2C1=O

Description

3-Cyanochromone (4-Oxo-4H-1-benzopyran-3-carbonitrile), a 3-substituted chromone, is a cyano substituted 1-benzopyran-4-one. It is an ,-unsaturated nitrile and also an ,-unsaturated ketone. Its molecule has electron deficiency at 3 sites i.e C (carbon) at second position, C of cyano and carbonyl group. 2-Amino-3-(alkyliminomethyl)chromones are obtained as major products during its reaction with aliphatic amines.3-Cyanochromone may be used in the syntheses of following: 2-aminochromone-3-carboxamide3-amino-4H-chromeno[3,4-d]isoxazol-4-one 3-(diaminomethylene)chroman-2,4-dione functionalized novel spirobenzofuranones6H-bis-[1]-benzopyrano[2,3-b:3,4-e]pyridin-8(8H)ones and 3-(2-hydroxybenzoyl)-5H-[1]benzopyrano[4,3-b]pyridine

Synthesis

  • Route1

    References

    • Jagath Reddy; Latha; Thirupathaiah; Srinivasa Rao Organic Preparations and Procedures International, 2004 , vol. 36, # 3 p. 287 - 289
  • Route2
    • 2'-Hydroxyacetophenone Paracetamol Impurity|CS-0228947
      118-93-4
    • null|null
      68-12-2
    • ~68%
    • In-stock
      3-Cyanochromone|CS-0088469
      50743-17-4

    References

    • Pellegatti, Laurent; Buchwald, Stephen L. Organic Process Research and Development, 2012 , vol. 16, # 8 p. 1442 - 1448
  • Route3
    • 2-Oxo-2h-chromene-3-carboxamide|CS-0306448
      1846-78-2
    • ~%
    • In-stock
      3-Cyanochromone|CS-0088469
      50743-17-4

    References

    • Warner-Lambert Company Patent: US4196128 A1, 1980 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H312+H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   54
  • LogP   1.66468
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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