Lot numbers can be found on the outside label of a product:
2-Bromo-1-(pyrrolidin-1-yl)ethan-1-one
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CAS No. 90892-09-4
- Cat. No. CS-0461588
- Purity≥96%
- MDL No.MFCD06800371
*For research and further manufacturing use only, not for direct human use.
Structure of 90892-09-4
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General Information
- CAS No. 90892-09-4
- Cat. No. CS-0461588
- Purity ≥96%
- MDL No. MFCD06800371
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₁₀BrNO
- Molecular Weight 192.05
- Synonym(s) 2-Bromo-1-(1-pyrrolidinyl)-1-ethanone
- SMILES C1CCN(C1)C(=O)CBr
Description
2-Bromo-1-(pyrrolidin-1-yl)ethan-1-one is a brominated ketone featuring a pyrrolidine moiety that enables efficient coupling in synthetic transformations. This bench-stable reagent integrates readily into C–C bond-forming sequences, offering high reactivity under mild conditions. Its electron-deficient carbonyl group facilitates nucleophilic addition, while the bromine atom serves as a versatile handle for further functionalization.
Application
2-Bromo-1-(pyrrolidin-1-yl)ethan-1-one serves as a versatile building block in synthetic organic chemistry, enabling the construction of pyrrolidine-fused heterocycles and functionalized alkylating agents. Its bromoacetyl moiety facilitates nucleophilic substitution reactions with amines, thiols, and other soft nucleophiles under mild conditions. The molecule exhibits good bench stability and ease of purification, making it suitable for multi-step synthesis and process-scale applications.
Synthesis
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Route1
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123-75-1 -
598-21-0
- ~94%
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In-stock
90892-09-4
References
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Kong, Han Il; Crichton, Jennifer E.; Manthorpe, Jeffrey M. Tetrahedron Letters, 2011 , vol. 52, # 29 p. 3714 - 3717
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Route2
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123-75-1
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22118-09-8
- ~67%
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In-stock
90892-09-4
References
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Bristol-Myers Squibb Company Patent: US6344450 B1, 2002 ; Location in patent: Page column 44 ; US 6344450 B1
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Route3
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123-75-1
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22118-09-8
- ~%
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In-stock
90892-09-4
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In-stock
20266-00-6
References
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Nechepurenko; Komarova; Vasil'ev; Salakhutdinov Chemistry of Natural Compounds, 2013 , vol. 48, # 6 p. 1047 - 1053 Khim. Prir. Soedin., 2012 , vol. 48, # 6 p. 924 - 929,6
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05,GHS07,GHS08
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Signal Word : Danger
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UN#: 1760
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Class : 8
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Packing Group : Ⅲ
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Hazard Statements : H302-H314-H334-H335
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Precautionary Statements : P260-P261-P264-P270-P271-P280-P285-P301+P310-P301+P330+P331-P303+P361+P353-P304+P340-P304+P341-P305+P351+P338-P310-P312-P330-P342+P311-P363-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 20.31
- LogP 1.0037
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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