Lot numbers can be found on the outside label of a product:
Methyl 1-(hydroxymethyl)cyclopropane-1-carboxylate
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CAS No. 88157-42-0
- Cat. No. CS-W020452
- Purity≥95%
- MDL No.MFCD16036399
*For research and further manufacturing use only, not for direct human use.
Structure of 88157-42-0
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General Information
- CAS No. 88157-42-0
- Cat. No. CS-W020452
- Purity ≥95%
- MDL No. MFCD16036399
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₁₀O₃
- Molecular Weight 130.14
- Synonym(s) Methyl 1-(hydroxymethyl)cyclopropanecarboxylate
- SMILES COC(=O)C1(CO)CC1
Description
Methyl 1-(hydroxymethyl)cyclopropane-1-carboxylate features a strained cyclopropane ring bearing a hydroxymethyl and ester group, enabling selective functionalization in synthetic routes. The pendant hydroxyl supports derivatization while maintaining stability under standard conditions. This scaffold serves as a key intermediate for bioactive molecule synthesis and cyclopropanoid library development.
Application
Methyl 1-(hydroxymethyl)cyclopropane-1-carboxylate serves as a versatile building block for cyclopropyl-containing scaffolds, enabling direct functionalization at the hydroxymethyl group. Its bench-stable nature and tolerance to common reaction conditions facilitate downstream transformations such as oxidation, protection, and coupling reactions. This compound functions effectively in the synthesis of bioactive molecules and heterocyclic systems where constrained cyclopropyl motifs are required.
Synthesis
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Route1
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In-stock
113020-21-6 - ~93%
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In-stock
88157-42-0
References
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ELI LILLY AND COMPANY; COATES, David, Andrew; GILMOUR, Raymond; MARTIN, Jose, Alfredo; MARTIN DE LA NAVA, Eva, Maria Patent: WO2012/74761 A1, 2012 ; Location in patent: Page/Page column 21 ;
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Route2
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88157-41-9 - ~73%
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In-stock
88157-42-0
References
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Nicolaou, K. C.; Hernandez, P. E.; Ladduwahetty, T.; Randall, J. L.; Webber, S. E.; et al. Journal of Organic Chemistry, 1983 , vol. 48, # 26 p. 5403 - 5404
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Route3
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In-stock
113020-21-6
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543-27-1
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In-stock
88157-42-0
References
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DAIICHI PHARMACEUTICAL CO., LTD. Patent: US2005/20645 A1, 2005 ;
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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-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 46.53
- LogP -0.0681
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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