Nipecotic acid
Synonym(s):(R)-(–)-Nipecotic acid;(±)-β-Homoproline;3-Carboxypiperidine;3-Piperidinecarboxylic acid;Hexahydronicotinic acid
- CAS NO.:498-95-3
- Empirical Formula: C6H11NO2
- Molecular Weight: 129.16
- MDL number: MFCD00005992
- EINECS: 207-873-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-06-12 11:13:47
What is Nipecotic acid?
Chemical properties
off-white to pale yellow-beige powder
The Uses of Nipecotic acid
(+/-)-Nipecotic Acid (cas# 498-95-3) is a compound useful in organic synthesis.
Definition
ChEBI: A piperidinemonocarboxylic acid that is piperidine in which one of the hydrogens at position 3 is substituted by a carboxylic acid group.
Synthesis Reference(s)
The Journal of Organic Chemistry, 28, p. 602, 1963 DOI: 10.1021/jo01037a531
General Description
R(?)-Nipecotic acid is a potential inhibitor of uptake of γ-aminobutyric acid (GABA) in rat brain slices. Lipophilic derivatives of nipecotic acid are used as drugs for the treatment of epilepsy.
Synthesis
Firstly 3-piperidine formamides or their salts were reacted with concentrated hydrochloric acid which produces the (S)-3-piperidine carboxylic acid salt. Then the salt of (S)-3-piperidine carboxylic acid was converted to 3-piperidine carboxylic acid (final product) via stirring with potassium hydroxide in methanol. The synthesized final product was characterized using the 1HNMR technique with data as 1H NMR (401 MHz, D2O) δ 3.34 (dd, J = 12.6, 3.6 Hz, 1H), 3.29-3.19 (m, 1H), 3.15-2.98 (m, 2H), 2.66-2.55 (m, 1H), 2.06–1.96 (m, 1H), 1.95–1.82 (m, 1H), 1.82-1.63 (m, 2H).
Properties of Nipecotic acid
Melting point: | 261 °C (dec.) (lit.) |
Boiling point: | 239.22°C (rough estimate) |
Density | 1.1426 (rough estimate) |
refractive index | 1.4587 (estimate) |
storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
solubility | water: soluble50mg/mL, clear, colorless to faintly yellow |
form | Solid |
pka | pK1:3.35(+1);pK2:10.64(0) (25°C) |
color | White |
Water Solubility | Soluble in water |
Merck | 14,6560 |
BRN | 81096 |
CAS DataBase Reference | 498-95-3(CAS DataBase Reference) |
Safety information for Nipecotic acid
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Nipecotic acid
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