Lot numbers can be found on the outside label of a product:
Methyl 3-oxocyclobutanecarboxylate
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CAS No. 695-95-4
- Cat. No. CS-W007372
- Purity≥97%
- MDL No.MFCD00604222
*For research and further manufacturing use only, not for direct human use.
Structure of 695-95-4
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General Information
- CAS No. 695-95-4
- Cat. No. CS-W007372
- Purity ≥97%
- MDL No. MFCD00604222
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₈O₃
- Molecular Weight 128.13
- Synonym(s) Methyl 3-oxo-cyclobutanecarboxylate
- SMILES O=C(C1CC(C1)=O)OC
Description
Methyl 3-oxocyclobutanecarboxylate features a strained cyclobutane ring with a conjugated ketone and ester group, enabling facile functionalization at the 3-position. This reactive scaffold integrates readily into synthetic sequences requiring controlled ring opening or nucleophilic addition, particularly in the construction of bioactive heterocycles and natural product analogs under mild conditions.
Application
Methyl 3-oxocyclobutanecarboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized cyclobutane scaffolds. Its α,β-unsaturated ketone motif facilitates Michael additions, aldol reactions, and metal-catalyzed cyclizations. The ester group provides a handle for selective transformations, while the cyclic ketone exhibits robust bench stability and compatibility with diverse reaction conditions. This compound functions effectively in the synthesis of bioactive heterocycles and natural product analogs.
Synthesis
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Route1
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67-56-1 -
In-stock
23761-23-1 - ~97%
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In-stock
695-95-4
References
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BAYER SCHERING PHARMA AKTIENGESELLSCHAFT; GRAHAM , Keith; SCHMITT-WILLICH , Heribert; FRANCK , Dominic Patent: WO2011/6621 A1, 2011 ; Location in patent: Page/Page column 36 ;
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Route2
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In-stock
23761-23-1
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18107-18-1
- ~%
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In-stock
695-95-4
References
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WO2012/58187 A1, ; Page/Page column 53 ; WO 2012/058187 A1
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Route3
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In-stock
15963-40-3 - ~%
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In-stock
695-95-4
References
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Chemische Berichte, , vol. 100, p. 2107 - 2116
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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 43.37
- LogP 0.1385
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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