Lot numbers can be found on the outside label of a product:
Gabapentin acid impurity 4
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CAS No. 64744-50-9
- Cat. No. CS-0096868
- Purity≥97%
- MDL No.MFCD00177938
*For research and further manufacturing use only, not for direct human use.
Structure of 64744-50-9
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General Information
- CAS No. 64744-50-9
- Cat. No. CS-0096868
- Purity ≥97%
- MDL No. MFCD00177938
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₅NO
- Molecular Weight 153.23
- Synonym(s) None
- SMILES O=C1NCC2(C1)CCCCC2
Description
4,4-Pentamethylene-2-pyrrolidinone (2-azaspiro[4.5]decan-3-one, gabapentin-lactam) is a degradation product of gabapentin.
Application
2-Azaspiro[4.5]decan-3-one serves as a versatile scaffold in medicinal chemistry, enabling the construction of bioactive heterocycles through standard functional group manipulations. Its rigid spirocyclic framework provides conformational constraint, enhancing target binding affinity. The ketone and nitrogen functionalities offer reliable handles for derivatization, including reductive amination and nucleophilic addition. Bench-stable and compatible with common reaction conditions, it facilitates efficient access to complex molecular architectures in lead optimization campaigns.
Synthesis
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Route1
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133481-09-1 - ~95%
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In-stock
64744-50-9
References
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HIKAL LIMITED; YERANDE, Swapnil, Gulabrao; THAKUR, Rajesh, Mataprasad; SHARMA, Sundarakrishna, S.; GANGOPADHYAY, Ashok, Kumar; RUPP, Helmut; KUBAVAT, Hitesh; NAGARAJAN, Kuppuswamy; SELVAN, Arul; NUNNA, Rambabu; JALAJAKSHI, Vivekananda, Induharappa Patent: WO2013/190357 A1, 2013 ; Location in patent: Page/Page column 24 ;
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Route2
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4172-99-0 - ~91%
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In-stock
64744-50-9
References
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HIKAL LIMITED; YERANDE, Swapnil, Gulabrao; THAKUR, Rajesh, Mataprasad; SHARMA, Sundarakrishna, S.; GANGOPADHYAY, Ashok, Kumar; RUPP, Helmut; KUBAVAT, Hitesh; NAGARAJAN, Kuppuswamy; SELVAN, Arul; NUNNA, Rambabu; JALAJAKSHI, Vivekananda, Induharappa Patent: WO2013/190357 A1, 2013 ; Location in patent: Page/Page column 24-25 ;
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Route3
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137307-65-4 - ~71%
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In-stock
64744-50-9
References
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Hikal Ltd.; Kuppuswamy, Nagarajan; Hariharan, Sivaramakrishnan; Mariadas, Arulselvan Patent: WO2004/46108 A1, 2004 ; Location in patent: Page 9-12 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS08
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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 : H361
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Precautionary Statements : P201-P202-P280-P308+P313-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 29.1
- LogP 1.4568
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 0
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