Lot numbers can be found on the outside label of a product:
Ethyl cyclopentanecarboxylate
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CAS No. 5453-85-0
- Cat. No. CS-0235375
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 5453-85-0
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General Information
- CAS No. 5453-85-0
- Cat. No. CS-0235375
- Purity ≥98%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₁₄O₂
- Molecular Weight 142.20
- Synonym(s) Cyclopentancarbonsaeure-aethylester
- SMILES CCOC(=O)C1CCCC1
Description
Ethyl cyclopentanecarboxylate features a rigid cyclopentane ring that imparts conformational stability, enabling precise stereochemical control in synthetic transformations. This bench-stable ester integrates readily into asymmetric synthesis workflows, serving as a key building block for cyclic frameworks in medicinal chemistry and natural product synthesis.
Application
Ethyl cyclopentanecarboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of cyclopentane-containing scaffolds. Its ester functionality facilitates nucleophilic acyl substitution and subsequent transformations, while the rigid cyclopentane ring provides conformational constraint beneficial for medicinal chemistry applications. The compound exhibits good bench stability and is compatible with a range of standard reaction conditions, including Grignard additions and reductions, offering reliable access to functionalized cyclopentane derivatives.
Synthesis
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Route1
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64-17-5 -
In-stock
3400-45-1 - ~96%
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In-stock
5453-85-0
References
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Youssef, Amal Mamdouh; Safo, Martin K.; Danso-Danquah, Richmond; Joshi, Gajanan S.; Kister, Jean; Marden, Michael C.; Abraham, Donald J. Journal of Medicinal Chemistry, 2002 , vol. 45, # 6 p. 1184 - 1195
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Route2
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4524-93-0
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64-17-5
- ~%
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In-stock
5453-85-0
References
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RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a.; RECORDATI S.A. Patent: EP1200406 B1, 2004 ; Location in patent: Page 16 ;
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Route3
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1125-99-1
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64-17-5
- ~76%
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In-stock
5453-85-0
References
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Cekovic, Z.; Bosnjak, J.; Cvetkovic, M Tetrahedron Letters, 1980 , vol. 21, p. 2675 - 2678
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS02
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Signal Word : Danger
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UN#: 1993
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Class : 3
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Packing Group : Ⅲ
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Hazard Statements : H225-H315-H319-H335
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Precautionary Statements : P210-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P362-P370+P378-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 26.3
- LogP 1.7397
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 2
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