Lot numbers can be found on the outside label of a product:
Benzyl 3-hydroxypyrrolidine-1-carboxylate
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CAS No. 95656-88-5
- Cat. No. CS-W003459
- Purity≥95%
- MDL No.MFCD08061949
*For research and further manufacturing use only, not for direct human use.
Structure of 95656-88-5
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General Information
- CAS No. 95656-88-5
- Cat. No. CS-W003459
- Purity ≥95%
- MDL No. MFCD08061949
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₁₅NO₃
- Molecular Weight 221.25
- Synonym(s) N-Cbz-3-pyrrolidinol
- SMILES OC1CCN(C(OCC2=CC=CC=C2)=O)C1
Description
Benzyl 3-hydroxypyrrolidine-1-carboxylate features a pyrrolidine core bearing a hydroxyl group at the 3-position and a benzyl ester handle, enabling straightforward deprotection and functionalization. This scaffold integrates readily into complex molecular architectures, particularly in medicinal chemistry campaigns targeting bioactive heterocycles. The pendant hydroxyl offers a site for derivatization or stereochemical control, while the benzyl ester provides stability under standard conditions and compatibility with orthogonal protection strategies.
Application
Benzyl 3-hydroxypyrrolidine-1-carboxylate serves as a versatile chiral building block in medicinal chemistry, enabling the synthesis of pyrrolidine-containing scaffolds via standard amine alkylation and reductive amination protocols. The hydroxyl group offers a handle for selective derivatization, while the benzyl ester facilitates straightforward deprotection under catalytic hydrogenation conditions. Its bench-stable nature and compatibility with diverse reaction conditions make it well-suited for iterative synthesis workflows.
Synthesis
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Route1
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In-stock
31970-04-4 - ~51%
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In-stock
95656-88-5
References
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Actelion Pharmaceuticals Ltd. Patent: US2009/247578 A1, 2009 ; Location in patent: Page/Page column 14 ;
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Route2
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In-stock
104706-47-0 -
501-53-1 - ~%
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In-stock
95656-88-5
References
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US4916141 A1, ;
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Route3
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In-stock
40499-83-0 -
501-53-1
- ~16%
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In-stock
95656-88-5
References
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Nortran Pharmaceuticals Inc. Patent: EP1087934 B1, 2004 ; Location in patent: Page 25-26 ;
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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 49.77
- LogP 1.3898
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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