(2S,5S)-5-hydroxy-1,5-dimethyl-2-phenyl-piperidin-4-one hydrochloride, a piperidine derivative with the molecular formula C14H19NO2·HCl, is a chemical compound that serves as an intermediate in the synthesis of pharmaceuticals. Its stereochemistry of (2S,5S) denotes the specific arrangement of atoms within the molecule, which is crucial for its functionality. The hydrochloride salt form enhances its solubility in water, making it more suitable for pharmaceutical formulations. (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenyl-piperidin-4-one hydrochloride's chemical structure and properties render it a valuable asset in medicinal chemistry research and drug development.
66440-03-7
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Basic information
- Product Name: (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenyl-piperidin-4-one hydrochloride
- Synonyms: (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenyl-piperidin-4-one hydrochloride
- CAS NO:66440-03-7
- Molecular Formula: C13H18ClNO2
- Molecular Weight: 255.7405
- EINECS: N/A
- Product Categories: N/A
- Mol File: 66440-03-7.mol
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Chemical Properties
- Melting Point: 188-190 °C(Solv: 3-pentanone (96-22-0))
- Boiling Point: 360.3°Cat760mmHg
- Flash Point: 171.7°C
- Appearance: /
- Density: g/cm3
- Vapor Pressure: 8.09E-06mmHg at 25°C
- Refractive Index: N/A
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenyl-piperidin-4-one hydrochloride(CAS DataBase Reference)
- NIST Chemistry Reference: (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenyl-piperidin-4-one hydrochloride(66440-03-7)
- EPA Substance Registry System: (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenyl-piperidin-4-one hydrochloride(66440-03-7)
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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: 66440-03-7(Hazardous Substances Data)
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66440-03-7 Usage
Uses
Used in Pharmaceutical Synthesis:(2S,5S)-5-hydroxy-1,5-dimethyl-2-phenyl-piperidin-4-one hydrochloride is used as an intermediate in the pharmaceutical industry for the synthesis of various drugs. Its unique chemical structure and stereochemistry make it a versatile building block for creating new and effective medications.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenyl-piperidin-4-one hydrochloride is utilized as a research tool to study the structure-activity relationships of different drug candidates. Its specific stereochemistry allows researchers to investigate the effects of stereoisomerism on the pharmacological properties of the compounds being developed.
Used in Drug Development:
(2S,5S)-5-hydroxy-1,5-dimethyl-2-phenyl-piperidin-4-one hydrochloride is employed in drug development as a key component in the formulation of new pharmaceuticals. Its improved solubility due to the hydrochloride salt form facilitates the development of more effective and bioavailable drug products.
Check Digit Verification of cas no
The CAS Registry Mumber 66440-03-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,6,4,4 and 0 respectively; the second part has 2 digits, 0 and 3 respectively.Calculate Digit Verification of CAS Registry Number 66440-03:
(7*6)+(6*6)+(5*4)+(4*4)+(3*0)+(2*0)+(1*3)=117
117 % 10 = 7
So 66440-03-7 is a valid CAS Registry Number.
InChI:InChI=1/C13H17NO2.ClH/c1-13(16)9-14(2)11(8-12(13)15)10-6-4-3-5-7-10;/h3-7,11,16H,8-9H2,1-2H3;1H/t11-,13-;/m0./s1
66440-03-7Upstream product
66440-03-7Downstream Products
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(2S,5S)-5-hydroxy-1,5-dimethyl-2-phenyl-piperidin-4-one hydrochloride
