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CS-W001157 4
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4-Cyanotetrahydro-2H-pyran-4-carboxylic acid

  • CAS No. 848821-06-7

  • Cat. No. CS-B1519
  • Purity≥98%
  • MDL No.MFCD09800426

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

4-Cyanotetrahydro-2H-pyran-4-carboxylic acid|CS-B1519

Structure of 848821-06-7

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General Information

  • CAS No. 848821-06-7
  • Cat. No. CS-B1519
  • Purity ≥98%
  • MDL No. MFCD09800426
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉NO₃
  • Molecular Weight None
  • Synonym(s) 4-CYANO-TETRAHYDROPYRAN-4-CARBOXYLIC ACID
  • SMILES N#CC1(C(O)=O)CCOCC1

Description

4-Cyanotetrahydro-2H-pyran-4-carboxylic acid features a rigid tetrahydropyran core with a cyano group at C4 and a carboxylic acid moiety, enabling dual functionalization. This bifunctional scaffold integrates seamlessly into synthetic sequences requiring polar, stable handles for conjugation or derivatization under standard conditions.

Application

4-Cyanotetrahydro-2H-pyran-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of tetrahydropyran-containing scaffolds prevalent in bioactive molecules. Its dual functionality—cyano and carboxylic acid groups—facilitates sequential transformations including nucleophilic additions, amidations, and cyclizations under standard conditions. The molecule exhibits good bench stability and is amenable to purification via recrystallization or column chromatography, supporting its utility in multi-step syntheses and process development.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335-H312-H332
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P304+P341-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P363-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   70.32
  • LogP   0.39138
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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