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CS-W001157 4
Total: USD 88.00

Methyl cyclopentanecarboxylate

  • CAS No. 4630-80-2

  • Cat. No. CS-W005310
  • Purity≥96%
  • MDL No.MFCD00019290

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

Methyl cyclopentanecarboxylate|CS-W005310

Structure of 4630-80-2

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General Information

  • CAS No. 4630-80-2
  • Cat. No. CS-W005310
  • Purity ≥96%
  • MDL No. MFCD00019290
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂O₂
  • Molecular Weight 128.17
  • Synonym(s) Methyl cyclopentane carboxylate
  • SMILES O=C(C1CCCC1)OC

Description

Methyl cyclopentanecarboxylate is a cyclic ester featuring a five-membered ring with a pendant carboxylate group. This structure imparts enhanced stability and solubility in organic solvents, enabling efficient integration into synthetic sequences involving nucleophilic acyl substitution or radical functionalization. The constrained ring geometry facilitates stereoselective transformations under mild conditions.

Application

Methyl cyclopentanecarboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of cyclopentane-based scaffolds. Its ester functionality supports diverse transformations including reduction to the alcohol, hydrolysis to the carboxylic acid, and participation in Grignard or organolithium reactions. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      Cyclopentanecarboxylic acid|CS-W007448
      3400-45-1
    • ~98%
    • In-stock
      Methyl cyclopentanecarboxylate|CS-W005310
      4630-80-2

    References

    • Davis, Charles R.; Swenson, Dale C.; Burton, Donald J. Journal of Organic Chemistry, 1993 , vol. 58, # 24 p. 6843 - 6850
  • Route2
    • null|null
      67-56-1
    • null|null
      201230-82-2
    • null|null
      142-29-0
    • ~10%
    • In-stock
      Methyl 1-cyclopentene-1-carboxylate|CS-D0999
      25662-28-6
    • In-stock
      Methyl cyclopentanecarboxylate|CS-W005310
      4630-80-2
    • null|null
      120-92-3

    References

    • Yokota, Takahiro; Sakaguchi, Satoshi; Ishii, Yasutaka Journal of Organic Chemistry, 2002 , vol. 67, # 14 p. 5005 - 5008
  • Route3
    • null|null
      186581-53-3
    • In-stock
      Cyclopentanecarboxylic acid|CS-W007448
      3400-45-1
    • ~94%
    • In-stock
      Methyl cyclopentanecarboxylate|CS-W005310
      4630-80-2

    References

    • Madder, Annemieke; Sebastian, Sonny; Van Haver, Dirk; De Clercq, Pierre J.; Maskill, Howard Journal of the Chemical Society. Perkin Transactions 2, 1997 , # 12 p. 2787 - 2793

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 3272
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.3496
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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