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ChemicalBook--->CAS DataBase List--->498-94-2

498-94-2

498-94-2 Structure

498-94-2 Structure
IdentificationMore
[Name]

Isonipecotic acid
[CAS]

498-94-2
[Synonyms]

4-CARBOXYPIPERIDINE
4-PIPERIDINECARBOXYLIC ACID
AKOS BBS-00003783
DL-ISOPIPECOLINIC ACID
HEXAHYDROISONICOTINIC ACID
H-INP-OH
H-ISONICOT(H6)-OH
H-PIC(4)-OH
ISONIPECOTIC ACID
LABOTEST-BB LT00847733
L-ISONIPECOTIC ACID
PIPERIDINE-4-CARBOXYLIC ACID
RARECHEM AH CK 0178
TIMTEC-BB SBB004231
4-hexahydroisonicotinicacid
acideisonipecotique
acidepiperidine-carboxylique-4
4-Piperidinecaboxylic Acid
DL-Isonipecotic acid
H-DL-Inp-OH~(+/-)-Piperidine-4-carboxylic acid
[EINECS(EC#)]

207-872-3
[Molecular Formula]

C6H11NO2
[MDL Number]

MFCD00006004
[Molecular Weight]

129.16
[MOL File]

498-94-2.mol
Chemical PropertiesBack Directory
[Appearance]

white to faint pink-beige powder
[Melting point ]

>300 °C(lit.)
[Boiling point ]

239.22°C (rough estimate)
[density ]

1.1426 (rough estimate)
[refractive index ]

1.4587 (estimate)
[storage temp. ]

Store at 0-5°C
[solubility ]

Water
[form ]

Powder
[pka]

pK1:3.73(+1);pK2:10.72(0) (25°C)
[color ]

White to faint pink-beige
[Water Solubility ]

soluble
[Detection Methods]

HPLC,T,NMR
[Merck ]

14,5189
[BRN ]

112553
[CAS DataBase Reference]

498-94-2(CAS DataBase Reference)
[EPA Substance Registry System]

4-Piperidinecarboxylic acid (498-94-2)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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
[Hazard Note ]

Irritant
[TSCA ]

T
[HazardClass ]

IRRITANT
[HS Code ]

29333999
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

4-Benzylpiperidine-->1-Boc-4-(aminomethyl)piperidine-->4-N-BOC-Aminopiperidine-->1-(PIPERIDIN-4-YLCARBONYL)PIPERIDINE-->4-Cyanopiperidine-->BENZYL 4-(BROMOMETHYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE-->1-ACETYL-4-BENZOYLPIPERIDINE-->PHENYL(PIPERIDIN-4-YL)METHANONE-->6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole-->4-(Boc-Aminomethyl)piperidine-->1-tert-Butoxycarbonyl-4-piperidinecarboxaldehyde-->N-BOC-ISONIPECOTIC ACID-->1-Methylpiperidin-4-amine-->1-(4-ACETYLPIPERIDINO)ETHAN-1-ONE-->1-Boc-4-cyanopiperidine-->1-Methylpiperidine-4-carboxylic acid hydrochloride-->1-ACETYLISONIPECOTOYL CHLORIDE-->1-METHYL-PIPERIDINE-4-CARBOXYLIC ACID-->1-Acetyl-4-piperidinecarboxylic acid-->N-BOC-piperidine-4-carboxylic acid-->1-[(Benzyloxy)carbonyl]piperidine-4-carboxylic acid-->4-PIPERIDINECARBOXYLIC ACID T-BUTYL ESTER HCL
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Piperidinecarboxylic acid(498-94-2).msds
Hazard InformationBack Directory
[Chemical Properties]

white to faint pink-beige powder
[Uses]

A GABA-A receptor partial agonist
[Synthesis Reference(s)]

Synthesis, p. 623, 1984
Tetrahedron Letters, 35, p. 8783, 1994 DOI: 10.1016/S0040-4039(00)78497-8
[Purification Methods]

It crystallises from H2O or EtOH as needles. The hydrochloride recrystallises from H2O or aqueous HCl with m 293odec (also 298odec, 300odec). [Wibaut Recl Trav Chim Pays-Bas 63 141 1944, IR: Zacharius et al. J Am Chem Soc 76 2908 1954, Beilstein 22/1 V 244.]
Spectrum DetailBack Directory
[Spectrum Detail]

Isonipecotic acid(498-94-2)MS
Isonipecotic acid(498-94-2)1HNMR
Isonipecotic acid(498-94-2)IR1
Isonipecotic acid(498-94-2)IR2
Isonipecotic acid(498-94-2)Raman
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