Lot numbers can be found on the outside label of a product:
Methyl 3,3-dimethoxycyclobutane-1-carboxylate
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CAS No. 98231-07-3
- Cat. No. CS-0049138
- Purity≥95%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 98231-07-3
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General Information
- CAS No. 98231-07-3
- Cat. No. CS-0049138
- Purity ≥95%
- MDL No. None
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₁₄O₄
- Molecular Weight 174.19
- Synonym(s) obutane-1-carboxyL
- SMILES COC(=O)C1CC(C1)(OC)OC
Description
Methyl 3,3-dimethoxycyclobutane-1-carboxylate features a cyclobutane core with two methoxy groups at C3, enhancing solubility and stability. This bench-stable ester integrates readily into synthetic sequences requiring strained ring systems, offering predictable reactivity in nucleophilic transformations and serving as a key intermediate in the construction of complex cyclic architectures.
Application
Methyl 3,3-dimethoxycyclobutane-1-carboxylate serves as a versatile building block for cyclobutane-based scaffolds in synthetic organic chemistry. The gem-dimethoxy group enables facile acid-mediated cleavage to generate cyclobutanone intermediates, while the ester functionality supports standard transformations such as reduction, nucleophilic addition, and cross-coupling reactions. Its bench-stable nature and compatibility with diverse reaction conditions make it well-suited for iterative synthesis workflows in medicinal chemistry and process development.
Synthesis
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Route1
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In-stock
23761-23-1 -
149-73-5 - ~95%
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In-stock
98231-07-3
References
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Berthel, Steven Joseph; Kester, Robert Francis; Murphy, Douglas Eric; Prins, Thomas Jay; Ruebsam, Frank; Sarabu, Ramakanth; Tran, Chinh Viet; Vourloumis, Dionisios Patent: US2008/21032 A1, 2008 ; Location in patent: Page/Page column 83 ; US 20080021032 A1
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Route2
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67-56-1
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In-stock
198995-91-4 - ~72%
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In-stock
98231-07-3
References
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Dainippon Sumitomo Pharma Co., Ltd. Patent: EP1935883 A1, 2008 ; Location in patent: Page/Page column 22 ;
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Route3
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In-stock
695-95-4 -
149-73-5
- ~58%
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In-stock
98231-07-3
References
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MERCK and CO. INC. Patent: WO2004/82682 A1, 2004 ; Location in patent: Page 72-73 ; WO 2004/082682 A1
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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-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 44.76
- LogP 0.5585
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 3
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Key Words
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