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Name	Isonipecotic acid	EINECS	207-872-3
CAS No.	498-94-2	Density	1.125 g/cm³
PSA	49.33000	LogP	0.39940
Solubility	Soluble in water	Melting Point	>300 °C(lit.)
Formula	C₆H₁₁NO₂	Boiling Point	265.8 °C at 760 mmHg
Molecular Weight	129.159	Flash Point	114.5 °C
Transport Information	N/A	Appearance	white to faint pink-beige powder
Safety	26-36-37/39	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	Hexahydroisonicotinic acid;Acide piperidine-carboxylique-4 [French];5-22-01-00244 (Beilstein Handbook Reference);4-Piperidinecarboxylic acid;Acide isonipecotique [French];4-Hexahydroisonicotinic acid;Isonicotinic acid, hexahydro-;4-Carboxypiperidine;3,4,5,6-tetrahydro-2H-pyridine-4-carboxylate;Piperidine-4-carboxylic acid;4-piperidine carboxylic acid;H-Pic(4)-OH;4-nipecotic acid(Isonipecotic acid);	Article Data	30

Isonipecotic acid Synthetic route

: Piperidine-4-carboxylic acid 3-methyl-but-2-enyl ester

: 498-94-2
isonipecotic acid

Conditions

Conditions	Yield
With diethylamine; Pd(0) (in situ from Pd(OAc)2 and m.sulfonated triphenylphosphine) In water; acetonitrile for 0.166667h; 5 molpercent catalyst;	100%

: 13602-12-5
Isonicotinic acid N-oxide

: 498-94-2
isonipecotic acid

Conditions

Conditions	Yield
With ammonium formate; 10percent palladium on carbon In methanol at 20℃; for 16h;	99%

: 10314-99-5
benzyl 4-(chlorocarbonyl)piperidine-1-carboxylate

A: 498-94-2
isonipecotic acid

B: 138163-08-3
N-(benzyloxycarbonyl)piperidine-4-carboxaldehyde

C: 4-(4-Formyl-piperidine-1-carbonyl)-piperidine-1-carboxylic acid benzyl ester

Conditions

Conditions	Yield
With methyl-phenyl-thioether; hydrogen; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal In toluene at 20℃; under 2068.6 Torr; for 22h; Yields of byproduct given;	A n/a B 94% C n/a

: 3731-38-2
3-Quinuclidinone

: 498-94-2
isonipecotic acid

Conditions

Conditions	Yield
With dihydrogen peroxide In ethanol for 2h;	72%

: 110-89-4
piperidine

: 64-18-6
formic acid

A: 498-94-2
isonipecotic acid

B: 56-40-6
glycine

C: 4043-87-2
pipecolic Acid

D: 498-95-3
nipecotic acid

Conditions

Conditions	Yield
In water at 10 - 20℃; for 1h; contact glow discharge electrolysis (500-600 V, 45 mA);	A 4.3% B 0.1% C 0.8% D 2.9%

...Expand

: 55-22-1
pyridine-4-carboxylic acid

: 498-94-2
isonipecotic acid

Conditions

Conditions	Yield
With i-Amyl alcohol; sodium
With acetic acid; platinum at 40℃; under 2280 Torr; Hydrogenation;
With acetic acid; platinum Hydrogenation;

: 857778-39-3
4-bromo-2-(2-bromo-ethyl)-butyric acid ethyl ester

: 498-94-2
isonipecotic acid

Conditions

Conditions	Yield
With ammonia at 130 - 140℃;

: 5398-44-7
2,6-dichloropyridine-4-carboxylic acid

: 498-94-2
isonipecotic acid

Conditions

Conditions	Yield
With acetic acid; platinum Hydrogenation;
Multi-step reaction with 2 steps 1: Raney nickel; aqueous NaOH / Hydrogenation.unter Druck 2: platinum; acetic acid / Hydrogenation View Scheme

N-nitroso-isonipecotic acid: 6238-69-3, 67659-29-4, 67659-30-7
N-nitroso-isonipecotic acid

: 498-94-2
isonipecotic acid

Conditions

Conditions	Yield
With perchloric acid; ammonium sulfamate; sodium thiocyanide at 50℃; Rate constant; piperidinium perchlorate, 18h; transnitrosating studies;

: Piperidine-4-carboxylic acid 4-nitro-phenyl ester; hydrobromide

A: 498-94-2
isonipecotic acid

B: 100-02-7
4-nitro-phenol

Conditions

Conditions	Yield
With Cu complex of polymer from 2,6-bis-aminomethylpyridine and 4,4'-bis-aminomethyldiphenylmethane; water In dimethyl sulfoxide at 25℃; Rate constant; var.reag.: Cu(2+) complex of 2,6-bis-benzylaminomethylpyridine; oligomers of 2,6-bis-aminomethylpyridine and 4,4'-bis-aminomethyldiphenylmethane;

Isonipecotic acid Chemical Properties

IUPAC Name: piperidine-4-carboxylic acid
Empirical Formula: C₆H₁₁NO₂
Molecular Weight: 129.157g/mol
EINECS: 207-872-3
Structure of Isonipecotic acid (CAS NO.498-94-2):

Index of Refraction: 1.478
Molar Refractivity: 32.51 cm³
Molar Volume: 114.7 cm³
Polarizability: 12.88×10^-24cm³
Surface Tension: 40.3 dyne/cm
Density: 1.125 g/cm³
Flash Point: 114.5 °C
Enthalpy of Vaporization: 55.45 kJ/mol
Melting Point: >300 °C(lit.)
Boiling Point: 265.8 °C at 760 mmHg
Vapour Pressure: 0.0026 mmHg at 25°C
Water Solubility: soluble
Product Categories: Nitrogen cyclic compounds;blocks;Carboxes;Heterocycles;Acids and Derivatives;Amines and Anilines;Carboxylic Acids;Pyrans, Piperidines &Piperazines;Piperidine;Organic acids;Terfenadine Fexofenadine Ketanserin;Carboxylic Acids;Pyrans, Piperidines & Piperazines
Canonical SMILES: C1CNCCC1C(=O)O
InChI: InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)
InChIKey: SRJOCJYGOFTFLH-UHFFFAOYSA-N

Isonipecotic acid Toxicity Data With Reference

ivn-mus LD50:2100 mg/kg

THERAP Therapie. 23 (1968),1343.

Isonipecotic acid Consensus Reports

Reported in EPA TSCA Inventory.

Isonipecotic acid Safety Profile

Moderately toxic by intravenous route. When heated to decomposition it emits toxic vapors of NO_x.
Hazard Codes: Xi
Hazard Note: Irritant
The Risk Statements information of Isonipecotic acid (CAS NO.498-94-2):
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements information of Isonipecotic acid (CAS NO.498-94-2):
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37/39: Wear suitable gloves and eye/face protection
WGK Germany: 3
RTECS: NS5150000
Hazard Note: Irritant
TSCA: T
HazardClass: IRRITANT
HS Code: 29333999

Isonipecotic acid Specification

Isonipecotic acid , its cas register number is 498-94-2. It also can be called 4-Carboxypiperidine ; 4-Hexahydroisonicotinic acid ; 5-22-01-00244 (Beilstein Handbook Reference) ; Acide isonipecotique ; Acide piperidine-carboxylique-4 ;
Hexahydroisonicotinic acid ; Isonicotinic acid, hexahydro- ; NSC 61049 ; Piperidine-4-carboxylic acid . Isonipecotic acid (CAS NO.498-94-2) is a white to faint pink-beige powder.

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