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CS-W001157 4
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3-Bromocyclopentane-1-carboxylic acid

  • CAS No. 885953-19-5

  • Cat. No. CS-0380404
  • Purity≥97%
  • MDL No.MFCD04038492

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

3-Bromocyclopentane-1-carboxylic acid|CS-0380404

Structure of 885953-19-5

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General Information

  • CAS No. 885953-19-5
  • Cat. No. CS-0380404
  • Purity ≥97%
  • MDL No. MFCD04038492
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₉BrO₂
  • Molecular Weight 193.04
  • Synonym(s) None
  • SMILES O=C(C1CC(Br)CC1)O

Description

3-Bromocyclopentane-1-carboxylic acid features a bromine substituent at the 3-position of a cyclopentane ring, flanked by a carboxylic acid group at the 1-position. This combination enables direct functionalization in synthetic transformations, particularly in nucleophilic substitution and cross-coupling reactions. The molecule exhibits enhanced reactivity due to the adjacent electron-withdrawing carboxylate, facilitating controlled derivatization under mild conditions.

Application

3-Bromocyclopentane-1-carboxylic acid serves as a versatile building block for cyclopentane-based scaffolds, enabling direct functionalization at the C3 position. Its bromine substituent facilitates palladium-catalyzed cross-coupling reactions, while the carboxylic acid group supports derivatization via amide formation or esterification. The molecule exhibits good bench stability and is readily purified by recrystallization, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.6346
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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