Lot numbers can be found on the outside label of a product:
tert-Butyl 3-acetylpyrrolidine-1-carboxylate
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CAS No. 858643-95-5
- Cat. No. CS-0038016
- Purity≥97%
- MDL No.MFCD11865235
*For research and further manufacturing use only, not for direct human use.
Structure of 858643-95-5
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General Information
- CAS No. 858643-95-5
- Cat. No. CS-0038016
- Purity ≥97%
- MDL No. MFCD11865235
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₁₉NO₃
- Molecular Weight None
- Synonym(s) Tert-butyl3-acetylpyrrolidine-1-carboxylate
- SMILES CC(=O)C1CCN(C1)C(=O)OC(C)(C)C
Description
tert-Butyl 3-acetylpyrrolidine-1-carboxylate features a pyrrolidine core with a strategically positioned acetyl group and a bench-stable tert-butyl carbamate protecting group. This combination enables direct incorporation into complex molecular architectures, particularly in the synthesis of nitrogen-containing heterocycles and bioactive compounds where controlled reactivity and ease of deprotection are essential.
Application
tert-Butyl 3-acetylpyrrolidine-1-carboxylate serves as a versatile pyrrolidine scaffold for medicinal chemistry and process development. The acetyl group enables direct functionalization via enolate chemistry, while the Boc protecting group offers stability and facile removal under mild acidic conditions. It functions as a key building block in the synthesis of nitrogen-containing heterocycles and supports diverse transformations including alkylation, condensation, and reductive amination, making it valuable for constructing complex molecular architectures with high practical utility in bench-scale synthesis.
Synthesis
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Route1
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In-stock
569667-93-2 -
75-16-1 - ~%
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In-stock
858643-95-5
References
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Henry, Christophe; Haupt, Andreas; Turner, Sean C. Journal of Organic Chemistry, 2009 , vol. 74, # 5 p. 1932 - 1938
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Route2
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In-stock
569667-93-2
- ~%
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In-stock
858643-95-5
References
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MERCK SHARP andamp; DOHME CORP.; OGAWA, Anthony; OK, Hyun, O.; ONDEYKA, Debra; UJJAINWALLA, Feroze; VANDE BUNTE, Ellen Patent: WO2010/77624 A1, 2010 ; Location in patent: Page/Page column 50-51 ; WO 2010/077624 A1
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Route3
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In-stock
72925-16-7 - ~%
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In-stock
858643-95-5
References
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Rodgers, James D.; Shepard, Stacey; Arvanitis, Argyrios G.; Wang, Haisheng; Storace, Louis; Folmer, Beverly; Shao, Lixin; Zhu, Wenyu; Glenn, Joseph Patent: US2010/298334 A1, 2010 ; US 20100298334 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 : H227-H315-H319-H335
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Precautionary Statements : P210-P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P370+P378-P403+P233-P403+P235-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 46.61
- LogP 1.8324
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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