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trans-3-Hydroxycyclobutanecarboxylic acid

  • CAS No. 1268521-85-2

  • Cat. No. CS-W018750
  • Purity≥97%
  • MDL No.MFCD17676395

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

trans-3-Hydroxycyclobutanecarboxylic acid|CS-W018750

Structure of 1268521-85-2

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General Information

  • CAS No. 1268521-85-2
  • Cat. No. CS-W018750
  • Purity ≥97%
  • MDL No. MFCD17676395
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈O₃
  • Molecular Weight 116.12
  • Synonym(s) rac-(1r,3r)-3-hydroxycyclobutane-1-carboxylic acid, trans
  • SMILES O=C([C@H]1C[C@H](O)C1)O

Description

trans-3-Hydroxycyclobutanecarboxylic acid features a rigid cyclobutane core with stereochemically defined hydroxyl and carboxylic acid groups, enabling precise spatial orientation in synthetic intermediates. This bench-stable derivative integrates readily into complex molecular architectures requiring controlled polarity and hydrogen-bonding capacity.

Application

trans-3-Hydroxycyclobutanecarboxylic acid serves as a versatile chiral building block in medicinal chemistry, enabling the synthesis of cyclobutane-containing pharmacophores. Its well-defined stereochemistry and functional group tolerance facilitate downstream derivatization via esterification, amide coupling, or oxidation. The molecule exhibits good bench stability and is readily purified by recrystallization, supporting its use in scalable synthetic routes for API intermediates.

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
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   57.53
  • LogP   -0.1581
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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