Lot numbers can be found on the outside label of a product:
(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile
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CAS No. 207557-35-5
- Cat. No. CS-D1786
- Purity≥98%
- MDL No.MFCD08689902
*For research and further manufacturing use only, not for direct human use.
Structure of 207557-35-5
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General Information
- CAS No. 207557-35-5
- Cat. No. CS-D1786
- Purity ≥98%
- MDL No. MFCD08689902
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₉ClN₂O
- Molecular Weight 172.62
- Synonym(s) (2S)-1-(2-Chloroacetyl)-2-pyrrolidinecarbonitrile; (2S)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile; (2S)-1-chloroacetylpyrrolidine-2-carbonitrile; s-2-cyanopyrrolidine-1-carbonylchloride
- SMILES N#C[C@H]1N(C(CCl)=O)CCC1
Description
(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile is a chiral building block featuring a pyrrolidine core with strategically positioned chloroacetyl and nitrile functionalities. This configuration enables selective derivatization in asymmetric synthesis, particularly for bioactive molecule construction. The molecule exhibits enhanced reactivity due to the electron-withdrawing nitrile group adjacent to the acyl chloride, facilitating nucleophilic substitution under mild conditions. Its bench-stable nature simplifies handling in multi-step synthetic sequences.
Application
(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile serves as a versatile chiral building block for the synthesis of pyrrolidine-based scaffolds in medicinal chemistry. Its dual functionality—reactive chloroacetyl electrophile and nitrile group—enables sequential transformations, including nucleophilic substitution and ring formation. The stereochemistry at the C2 position is retained under standard reaction conditions, facilitating access to enantiopure heterocycles. Bench-stable and amenable to purification by chromatography or recrystallization, it functions effectively in modular synthetic sequences targeting bioactive molecules.
Synthesis
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Route1
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79-04-9 -
In-stock
7531-52-4 - ~66%
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In-stock
207557-35-5
References
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Medichem, S.A. Patent: US2008/167479 A1, 2008 ; Location in patent: Page/Page column 5 ;
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Route2
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214398-99-9 - ~88%
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In-stock
207557-35-5
References
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Peng, Jun; Feng, Yue; Tao, Zhu; Chen, Yingjie; Hu, Xiangnan Letters in Organic Chemistry, 2013 , vol. 10, # 3 p. 159 - 163
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Route3
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204387-53-1 -
79-04-9
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In-stock
207557-35-5
References
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ALEMBIC PHARMACEUTICALS LIMITED; JAYARAMAN, Venkat Raman; PILLAI, Bijukumar Gopinathan; KEVAT, Jitendra; DUBADIA, Bhagwati; KAUSHAL, Anupriya Patent: WO2014/20462 A1, 2014 ; Location in patent: Page/Page column 9 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05,GHS07
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Signal Word : Danger
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UN#: 3261
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Class : 8
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Packing Group : Ⅱ
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Hazard Statements : H302+H312+H332-H314
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Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P330+P331-P302+P352-P304+P340-P330-P362+P364-P363-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 44.1
- LogP 0.73978
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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