Lot numbers can be found on the outside label of a product:
2-Benzyl 1-(tert-butyl) (S)-5-oxopyrrolidine-1,2-dicarboxylate
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CAS No. 113400-36-5
- Cat. No. CS-0013195
- Purity≥98%
- MDL No.MFCD04115781
*For research and further manufacturing use only, not for direct human use.
Structure of 113400-36-5
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General Information
- CAS No. 113400-36-5
- Cat. No. CS-0013195
- Purity ≥98%
- MDL No. MFCD04115781
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₇H₂₁NO₅
- Molecular Weight 319.35
- Synonym(s) 2-benzyl 1-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
- SMILES O=C([C@@H]1CCC(N1C(OC(C)(C)C)=O)=O)OCC2=CC=CC=C2
Description
This chiral pyrrolidine derivative features a tert-butyl group at the nitrogen and a benzyl ester at C2, delivering enhanced stability and solubility. The (S)-configuration enables stereocontrolled synthesis in complex molecule assembly. Its bench-stable nature simplifies handling during multistep transformations.
Application
2-Benzyl 1-(tert-butyl) (S)-5-oxopyrrolidine-1,2-dicarboxylate serves as a versatile chiral building block in asymmetric synthesis, enabling efficient access to pyrrolidine-based scaffolds. Its tert-butyl and benzyl groups provide orthogonal protection for nitrogen and carboxyl functionalities, facilitating selective deprotection and functionalization. The molecule exhibits excellent bench stability and simplifies purification, making it well-suited for multi-step synthetic sequences in medicinal chemistry and process development.
Synthesis
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Route1
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In-stock
24424-99-5 -
94885-52-6 - ~98%
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In-stock
113400-36-5
References
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Tetrahedron Letters, , vol. 43, # 19 p. 3499 - 3501
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Route2
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In-stock
98-79-3 - ~95%
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In-stock
113400-36-5
References
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EP1970377 A1, ; Page/Page column 55 ;
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Route3
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In-stock
34619-03-9 -
94885-52-6
- ~%
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In-stock
113400-36-5
References
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WO2006/24501 A1, ; Page/Page column 41 ; WO 2006/024501 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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 72.91
- LogP 2.6559
- H_Acceptors 5
- H_Donors 0
- Rotatable_Bonds 3
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Key Words
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