AKOS BBS-00003783
Isonipecotic acid
CAS: 498-94-2
Molecular Formula: C6H11NO2
AKOS BBS-00003783 - Names and Identifiers
AKOS BBS-00003783 - Physico-chemical Properties
| Molecular Formula | C6H11NO2 |
| Molar Mass | 129.16 |
| Density | 1.1426 (rough estimate) |
| Melting Point | >300°C(lit.) |
| Boling Point | 239.22°C (rough estimate) |
| Flash Point | 114.5°C |
| Water Solubility | soluble |
| Solubility | Water |
| Vapor Presure | 0.0026mmHg at 25°C |
| Appearance | White powder |
| Color | White to faint pink-beige |
| Merck | 14,5189 |
| BRN | 112553 |
| pKa | pK1:3.73(+1);pK2:10.72(0) (25°C) |
| Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
| Sensitive | Sensitive to light |
| Refractive Index | 1.4587 (estimate) |
| MDL | MFCD00006004 |
| Use | A HDAC inhibitor. |
AKOS BBS-00003783 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 3 |
| RTECS | NS5150000 |
| TSCA | T |
| HS Code | 29333999 |
| Hazard Class | IRRITANT |
AKOS BBS-00003783 - Introduction
Soluble in water, slightly soluble in methanol, insoluble in ethanol.
Last Update：2022-10-16 17:25:30
AKOS BBS-00003783 - Reference Information
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Overview | 4-piperidinic acid is an organic intermediate, which can be prepared by reduction of 4-picolinic acid. It has been reported that 4-piperidine formic acid can be used to prepare 4-piperidine methyl acetate. 4-piperidine methyl acetate is an important drug intermediate of piperidine derivatives, which is mainly used to synthesize drugs for various neurological diseases, such as convulsion, antiepileptic, sedation, etc. |
| application | 4-piperidine formic acid is an organic synthesis intermediate and a pharmaceutical intermediate, which can be used in laboratory research and development processes and chemical and pharmaceutical synthesis processes. |
| synthesis method | the synthesis method of 4-piperidinic acid is as follows:(1) dissolving palladium chloride in deionized water to prepare palladium chloride solution; Then add tartaric acid and continue to stir evenly to prepare a mixed solution; Add ethylene glycol to the mixed solution, raise the temperature to 60-80 ℃, stir and mix for 1-2h to prepare colloid;(2) Mix titanium tetrachloride and octyl ether, then add decylamine and stir evenly, add it to a three-mouth flask, raise the temperature to 150-200 ℃, stir for 20-40min in an inert gas atmosphere, then add carbon disulfide dropwise, continue stirring for 1-2h, cool to room temperature after the reaction, and prepare reaction liquid;(3) The reaction droplets prepared in step (2) are added to the colloid prepared in step (1). After the dropwise addition is completed, ammonia water is added to stir the precipitate for 10-30min, and the prepared precipitate is filtered. The prepared precipitate is washed with deionized water, dried, and a catalyst is prepared;(4) 4-picolinic acid is used as raw material, water is used as the reaction solvent, and added to the reaction kettle, then add the catalyst prepared by the above, mix evenly, introduce nitrogen for 5min in advance, then introduce hydrogen, raise the temperature to 80-95 ℃, react for 1-3h, cool to room temperature after the reaction, remove the catalyst and water, add methanol crystallization to the liquid, centrifuge, and prepare 4-piperidine formic acid. |
| Biological activity | Isonipecotic acid (4-Piperidinecarboxylic acid, 4-Carboxypperidine, Hexahydroisonicotinic acid) is a heterocyclic compound, mainly as a GABAA receptor partial agonist to play a role. |
| use | as a pharmaceutical intermediate |
Last Update：2024-04-09 15:16:50
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