Lot numbers can be found on the outside label of a product:
1-(tert-Butoxycarbonyl)-2-methylazetidine-2-carboxylic acid
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CAS No. 449758-77-4
- Cat. No. CS-0052702
- Purity≥97%
- MDL No.MFCD12406956
*For research and further manufacturing use only, not for direct human use.
Structure of 449758-77-4
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General Information
- CAS No. 449758-77-4
- Cat. No. CS-0052702
- Purity ≥97%
- MDL No. MFCD12406956
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₇NO₄
- Molecular Weight 215.25
- Synonym(s) None
- SMILES CC(C)(C)OC(=O)N1CCC1(C)C(O)=O
Description
This azetidine derivative features a tert-butoxycarbonyl-protected amine and a methyl-substituted ring, enabling direct incorporation into peptide chains. The bench-stable, moisture-tolerant structure simplifies handling in synthetic workflows, while the sterically constrained azetidine core enhances conformational rigidity for medicinal chemistry applications.
Application
1-(tert-Butoxycarbonyl)-2-methylazetidine-2-carboxylic acid serves as a valuable building block for the synthesis of azetidine-containing scaffolds in medicinal chemistry. The Boc-protected tertiary amine enables stable, orthogonal functionalization and facilitates efficient coupling reactions. Its inherent ring strain enhances reactivity in nucleophilic transformations, while the methyl substituent provides steric control and improved metabolic stability. The compound exhibits excellent bench stability and is readily purified by standard chromatographic methods, making it well-suited for scalable synthesis workflows.
Synthesis
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Route1
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1391077-73-8 - ~87%
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In-stock
449758-77-4
References
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WO2012/98033 A1, ; Page/Page column 129 ; WO 2012/098033 A1
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Route2
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1391077-69-2 - ~%
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In-stock
449758-77-4
References
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WO2012/98033 A1, ; WO 2012/098033 A1
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Route3
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1391077-71-6
- ~%
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In-stock
449758-77-4
References
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WO2012/98033 A1, ; WO 2012/098033 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-P280-P302+P352
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Quality Control
Computational Chemistry Data
- TPSA 66.84
- LogP 1.4705
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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