3-Benzylpiperidin-4-one is an organic chemical compound characterized by the molecular formula C14H17NO. It is a derivative of piperidinone, featuring a piperidine ring fused with a benzyl group and a ketone functional group. 3-benzylpiperidin-4-one is recognized for its significance in the synthesis of pharmaceuticals and other organic compounds, underpinning its utility in the development of drugs for a spectrum of medical conditions, particularly neurological and mental health disorders. 3-benzylpiperidin-4-one's chemical properties render it an indispensable building block in the realms of organic and medicinal chemistry research. Furthermore, the distinctive structural attributes and reactivity of 3-benzylpiperidin-4-one position it as a valuable asset for exploring chemical reactions and elucidating structure-activity relationships, which are pivotal in the domain of drug design and discovery.
497080-76-9
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Basic information
- Product Name: 3-benzylpiperidin-4-one
- Synonyms: 3-benzylpiperidin-4-one
- CAS NO:497080-76-9
- Molecular Formula: C12H15NO
- Molecular Weight: 189.2536
- EINECS: N/A
- Product Categories: N/A
- Mol File: 497080-76-9.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: 319.1±17.0 °C(Predicted)
- Flash Point: N/A
- Appearance: /
- Density: 1.067±0.06 g/cm3(Predicted)
- Refractive Index: N/A
- Storage Temp.: 2-8°C(protect from light)
- Solubility: N/A
- PKA: 8.95±0.40(Predicted)
- CAS DataBase Reference: 3-benzylpiperidin-4-one(CAS DataBase Reference)
- NIST Chemistry Reference: 3-benzylpiperidin-4-one(497080-76-9)
- EPA Substance Registry System: 3-benzylpiperidin-4-one(497080-76-9)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 497080-76-9(Hazardous Substances Data)
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497080-76-9 Usage
Uses
Used in Pharmaceutical Industry:3-Benzylpiperidin-4-one serves as a key intermediate in the synthesis of various pharmaceuticals, leveraging its structural and chemical properties to contribute to the development of novel drugs. It is particularly instrumental in the creation of medications aimed at treating neurological disorders and mental health conditions, where its unique attributes can be harnessed to modulate therapeutic effects.
Used in Organic Chemistry Research:
As a building block in organic chemistry, 3-benzylpiperidin-4-one is utilized for the exploration and understanding of complex chemical reactions. Its reactivity and structural features make it an ideal candidate for investigating reaction mechanisms and advancing synthetic methodologies within the field.
Used in Medicinal Chemistry Research:
3-Benzylpiperidin-4-one is employed as a valuable tool in medicinal chemistry, where it aids in the investigation of structure-activity relationships. This understanding is crucial for optimizing drug candidates, enhancing their efficacy, and minimizing potential side effects, thereby driving forward the discovery of innovative therapeutic agents.
Check Digit Verification of cas no
The CAS Registry Mumber 497080-76-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,9,7,0,8 and 0 respectively; the second part has 2 digits, 7 and 6 respectively.Calculate Digit Verification of CAS Registry Number 497080-76:
(8*4)+(7*9)+(6*7)+(5*0)+(4*8)+(3*0)+(2*7)+(1*6)=189
189 % 10 = 9
So 497080-76-9 is a valid CAS Registry Number.
497080-76-9Upstream product
497080-76-9Downstream Products
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3-benzylpiperidin-4-one
