Lot numbers can be found on the outside label of a product:
Diethyl cyclopentane-1,1-dicarboxylate
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CAS No. 4167-77-5
- Cat. No. CS-B1208
- Purity≥95%
- MDL No.MFCD00219321
*For research and further manufacturing use only, not for direct human use.
Structure of 4167-77-5
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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
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.
Synthesis
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Route1
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In-stock
3195-24-2 - ~95%
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In-stock
4167-77-5
References
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Lee, Sujin; Shin, Ju Yeon; Lee, Sang-Gi Chemistry - An Asian Journal, 2013 , vol. 8, # 9 p. 1990 - 1993
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Route2
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21622-00-4 - ~%
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In-stock
4167-77-5
References
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Louie; Bielawski; Grubbs Journal of the American Chemical Society, 2001 , vol. 123, # 45 p. 11312 - 11313
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Route3
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137435-36-0 - ~75%
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In-stock
4167-77-5
References
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Kim, Sunggak; Kee, In Seo; Lee, Sangphil Journal of the American Chemical Society, 1991 , vol. 113, # 26 p. 9882 - 9883
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302
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Precautionary Statements : P264-P270-P330-P501
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Quality Control
Computational Chemistry Data
- TPSA 52.6
- LogP 1.673
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 4
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Key Words
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