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Diethyl cyclopentane-1,1-dicarboxylate

  • CAS No. 4167-77-5

  • Cat. No. CS-B1208
  • Purity≥95%
  • MDL No.MFCD00219321
  • HazMat Fee +

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    Type
    HazMat Fee
    Excepted Quantity $0.00
    FedEx Limited Quantities Ground $0.00
    Hazmat Ground shipping $50.00+
    Inaccessible (Haz class 6.1 or 9), Domestic $68.00+
    Accessible (Haz class 3, 4, 5 or 8), Domestic $158.00+
    Inaccessible (Haz class 6.1 or 9), International $108.00+
    Accessible (Haz class 3, 4, 5 or 8), International $238.00+

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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

Diethyl cyclopentane-1,1-dicarboxylate|CS-B1208

Structure of 4167-77-5

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Description

5-Iodoisatin undergoes condensation reaction with phenol yields 5-iodophenolisatin, malonic acid yields 6-iodo-2-quinolone-4-carboxylic acid.

Application

Diethyl cyclopentane-1,1-dicarboxylate serves as a versatile building block in synthetic organic chemistry, enabling the construction of substituted cyclopentane scaffolds via standard decarboxylation and functionalization protocols. Its geminal diester motif facilitates sequential transformations, including enolate-mediated alkylation and hydrolysis, with excellent bench stability and straightforward purification. The molecule functions effectively in heterocycle synthesis and provides access to medicinally relevant ring systems through controlled ring expansion or modification.

General Information

  • CAS No. 4167-77-5
  • Cat. No. CS-B1208
  • Purity ≥95%
  • MDL No. MFCD00219321
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₈O₄
  • Molecular Weight 214.26
  • Synonym(s) 1,1-Bis(ethoxycarbonyl)cyclopentane; 1,1-Cyclopentanecarboxylic acid diethyl ester; Diethyl 1,1-cyclopentanedicarboxylate; Diethyl cyclopentane-1,1-dicarboxylate
  • SMILES O=C(C1(CCCC1)C(OCC)=O)OCC

Computational Chemistry Data

  • TPSA   52.6
  • LogP   1.673
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

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