4-Piperidinecarboxylic acid, hydrochloride (1:1)
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4-Piperidinecarboxylic acid, hydrochloride (1:1)
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CAS No:
5984-56-5
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Formula:
C6H11NO2.ClH
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Chemical Name:
4-Piperidinecarboxylic acid, hydrochloride (1:1)
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Synonyms:
4-Piperidinecarboxylic acid,hydrochloride (1:1);Isonipecotic acid,hydrochloride;4-Piperidinecarboxylic acid,hydrochloride
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CAS No:
4-Piperidinecarboxylic acid, hydrochloride (1:1) Basic Attributes
165.62
165.05600
611-901-9
9Y7QNE4DH3
DTXSID00208564
2933399090
Characteristics
49.3
1.20140
White to cream Crystalline Powder
293 °C (decomp)
265.8ºC at 760 mmHg
114.5ºC
H2O: 320 g/L (20 ºC)
Safety Information
3
36/37/38
37/39-26
Xi
P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Danger|H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Piperidinecarboxylic acid, hydrochloride (1:1) Use and Manufacturing
To a solution of Piperidine-4-carboxylic Acid hydrochloride (1eq), the amide was dissolved in dimethylformamide (DMF) and, morpholine (1.01 eq) and 1-ethyl-3- (3-dimethylaminopropyl) carbodiimide (EDC , 1.1 eq), 1- hydroxybenzotriazole (HOBT, 1.1 eq) was added dropwise, and triethylamine (TEA, 3 eq) sequentially. After stirring overnight at room temperature, then terminate the reaction with a small amount of water, extracted with EtOAc and water and a small amount of water in the organic layer was removed by using anhydrous MgSO4, and evaporated under reduced pressure to remove the solvent and dried in vacuo. Then, separated by column to give the title compound in 69% yield.A mixture of 1 -(ieri-butoxycarbonyl)piperidine-4-carboxylic acid (1.0 g, 4.4 mmol) in saturated EtOAc/HCI solution (10 mL) was stirred at room temperature for 2 hours. The mixture was concentrated to give the title compound (720 mg, 99%) as a white solid. LCMS- C: RT 0.72 min; m/z 130.1 [M+H]' for free baseTo a mixture of
Computed Properties
Molecular Weight:165.62
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:165.0556563
Monoisotopic Mass:165.0556563
Topological Polar Surface Area:49.3
Heavy Atom Count:10
Complexity:108
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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