Quinolinic acid supplier

Name
Quinolinic acid
EINECS 201-874-8
CAS No. 89-00-9
Article Data92
CAS DataBase
Density 1.551 g/cm³
Solubility 0.55 g/100 mL in water
Melting Point 188-190 °C (dec.)(lit.)
Formula C₇H₅NO₄
Boiling Point 425 °C at 760 mmHg
Molecular Weight 167.121
Flash Point 210.9 °C
Transport Information
Appearance Colorless columnar crystal
Safety 24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms pyridine-2,3-carboxylate;2,3-pyridinedicarboxylic acid;Quinolinate;2,3-pyridinedicarboxylate;2, 3-Pyridinedicarboxylic acid;2,3-Pyridinedicarboxylic acid (8CI,9CI);Kinubon;Strontium quinolinolate;pyridine-2,3-dicarboxylate;pyridine-2,3-dicarboxylic acid;2,3-pyridine dicarboxylic acid;2,3-pyridinedicarboxylic aicd;N4-Acetyl Cytosine;Pyridine-2,3-Dicarboxylicacid;
PSA 87.49000
LogP 0.47800

Synthetic route

: 91-22-5
quinoline

: 89-00-9
Pyridine-2,3-dicarboxylic acid

Conditions

Conditions	Yield
With sodium chlorate; copper(ll) sulfate pentahydrate; manganase(II)-5,10,15,20-tetra(4-carboxyphenyl)porphine; sulfuric acid In water at 100℃; for 6h;	94%
With manganese(II); iron(II); ozone In sulfuric acid at 69.9℃;	84%
With Iron(III) nitrate nonahydrate; tetrabutylammomium bromide; nitric acid In water at 80℃; for 4h; Reagent/catalyst; Temperature;	78%

: 98-98-6
2-Picolinic acid

: 124-38-9
carbon dioxide

: 89-00-9
Pyridine-2,3-dicarboxylic acid

Conditions

Conditions	Yield
Stage #1: 2-Picolinic acid With 2,2,6,6-tetramethyl-piperidine; n-butyllithium In tetrahydrofuran; hexane at -50 - 0℃; for 0.5h; Metallation; Stage #2: carbon dioxide In tetrahydrofuran; hexane Substitution;	85%

: 18970-62-2
copper pyridine-2,3-dicarboxylate

: 89-00-9
Pyridine-2,3-dicarboxylic acid

Conditions

Conditions	Yield
With water; sodium hydroxide at 90℃; for 2h;	71%

: pyridine-2,3-dicarboxylic anhydride

: 89-00-9
Pyridine-2,3-dicarboxylic acid

Conditions

Conditions	Yield
With pyridine; sulfuric acid In ethanol; water; ethyl acetate; toluene	61%

: 148-24-3
8-quinolinol

A: 89-00-9
Pyridine-2,3-dicarboxylic acid

B: 16830-25-4
2-carboxy-3-pyridineglyoxylic acid

Conditions

Conditions	Yield
With nitric acid a) RT, overnight, b) reflux, 1 h;	A 52.3% B 23.8%
With nitric acid

: 91-63-4
2-methylquinoline

A: 59-67-6
nicotinic acid

B: 98-98-6
2-Picolinic acid

C: 93-10-7
quinoline-2-carboxylic acid

D: 89-00-9
Pyridine-2,3-dicarboxylic acid

E: 17999-86-9
1,2-Bis(quinolin-2-yl)ethane

F: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With potassium hydroxide; oxygen In water at 200℃; under 58840.6 Torr; for 1h; Product distribution; var. time, var. temperatures;	A 8.1% B 41.3% C 41.7% D 2.2% E n/a F 0.7%

...Expand

: 583-61-9
2,3-Lutidine

: 89-00-9
Pyridine-2,3-dicarboxylic acid

Conditions

Conditions	Yield
With potassium permanganate

: 91-62-3
6-methylquinoline

: 89-00-9
Pyridine-2,3-dicarboxylic acid

Conditions

Conditions	Yield
With potassium permanganate
With sulfuric acid; dihydrogen peroxide; ozone 1.) HOAc, water, 35 deg C, 24 h, 2.) 45 deg C, 1.5 h; Yield given. Multistep reaction;

: 611-32-5
8-methylquinoline

: 89-00-9
Pyridine-2,3-dicarboxylic acid

Conditions

Conditions	Yield
With potassium permanganate

: 148-24-3
8-quinolinol

: 89-00-9
Pyridine-2,3-dicarboxylic acid

Conditions

Conditions	Yield
With nitric acid
With potassium permanganate
With hydrogenchloride; nitric acid at 70℃;
With ozone; acetic acid anschliessend Erhitzen mit wss. H2O2;
With sulfuric acid; dihydrogen peroxide; ozone 1.) HOAc, water, 35 deg C, 25 h, 2.) 45 deg C, 1.5 h; Yield given. Multistep reaction;

: 176967-80-9
5-bromo-8-nitroquinoline

A: 89-00-9
Pyridine-2,3-dicarboxylic acid

B: 3,5-dibromo-8-nitro-quinoline

Conditions

Conditions	Yield
With sulfuric acid; nitric acid at 100℃; im Rohr;

: 855837-58-0
5-bromo-6-nitroquinoline

A: 89-00-9
Pyridine-2,3-dicarboxylic acid

B: 3,5-dibromo-6-nitro-quinoline

Conditions

Conditions	Yield
With sulfuric acid; nitric acid at 100℃; im Rohr;

: 84-88-8
8-quinolinol-5-sulfonic acid

: 89-00-9
Pyridine-2,3-dicarboxylic acid

Conditions

Conditions	Yield
With ammonium metavanadate; sodium chlorite; sulfuric acid

: 3-trichloroacetyl-pyridine-2-carboxylic acid

: furan-2,3,5(4H)-trione pyridine (1:1)

A: 89-00-9
Pyridine-2,3-dicarboxylic acid

B: 67-66-3
chloroform

...Expand

: 118-10-5
Cinchonin

: 89-00-9
Pyridine-2,3-dicarboxylic acid

Conditions

Conditions	Yield
With permanganate(VII) ion

: 85-48-3
8-quinolinesulfonic acid

: 89-00-9
Pyridine-2,3-dicarboxylic acid

Conditions

Conditions	Yield
With potassium permanganate

: 85-48-3
8-quinolinesulfonic acid

A: 89-00-9
Pyridine-2,3-dicarboxylic acid

B: 123633-49-8
2-amino-3-sulfo-benzoic acid

Conditions

Conditions	Yield
With potassium permanganate

: 548-93-6
3-hydroxyanthranilic acid

A: 59-67-6
nicotinic acid

B: 89-00-9
Pyridine-2,3-dicarboxylic acid

Conditions

Conditions	Yield
enzymatische Umwandlung;

: 91533-15-2
pyrido<2,3-d>pyridazine-5,8-dione

: 89-00-9
Pyridine-2,3-dicarboxylic acid

Conditions

Conditions	Yield
With dihydrogen peroxide In acetone Mechanism; Ambient temperature;	0.47 g

: 91533-15-2
pyrido<2,3-d>pyridazine-5,8-dione

A: 89-00-9
Pyridine-2,3-dicarboxylic acid

B: 4430-77-7
pyrido[2,3-d]pyridazine-5,8(6H,7H)dione

Conditions

Conditions	Yield
With potassium hydroxide In acetone for 2h; Mechanism;	A 0.33 g B 0.07 g

: 91-22-5
quinoline

: 7664-93-9
sulfuric acid

: 7732-18-5
water

: 89-00-9
Pyridine-2,3-dicarboxylic acid

...Expand

: 148-24-3
8-quinolinol

: 7697-37-2
nitric acid

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 1304-76-3
bismuth(III) oxide

: {Bi(py-2-(COO)-3-(COOH))2}(OH)

Conditions

Conditions	Yield
In water soln. of the acid in H2O added to a suspn. of Bi2O3 in H2O, reflux, 48 h, until total consumption of the acid, mixt. cooled to room temp.; filtered, ppt. washed with H2O and EtOH, dried (vac.); elem. anal.;	96%

: 123-91-1
1,4-dioxane

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 3–(2–(2–chloroethoxy)ethoxy)nicotinic acid

Conditions

Conditions	Yield
With tert-butylhypochlorite; chloranil at 110℃; for 30h; Inert atmosphere;	96%

: 67-56-1
methanol

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 605-38-9
dimethyl 2,3-pyridinedicarboxylate

Conditions

Conditions	Yield
Stage #1: methanol; Pyridine-2,3-dicarboxylic acid at 20℃; for 0.5h; Stage #2: With sulfuric acid at 60℃; Temperature;	95.8%
With hydrogenchloride	93%
With sulfuric acid at 60℃; for 10h;	85.63%

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 699-98-9
Pyridine-2,3-dicarboxylic anhydride

Conditions

Conditions	Yield
With acetic anhydride for 3.5h; Reflux;	95%
With oxalyl dichloride; N,N-dimethyl-formamide In toluene for 3h; Inert atmosphere; Reflux;	91%
With acetic anhydride for 0.25h; Heating;	86%

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: cis-(CH3Ni(P(CH3)3)OCH3)2

: 594-09-2
trimethylphosphane

: dimethyl(pyridine-2,3-dicarboxylato-N:O:O)-tris(trimethylphosphine)dinickel

Conditions

Conditions	Yield
In tetrahydrofuran byproducts: CH3OH; addn. of trimethylphosphine to Ni-complex and org. compd. in THF (-70°C), keeping (1 h, 20°C); removal of volatiles (vac.), extn. (ether), pptn. on cooling (-30°C); elem. anal.;	95%

...Expand

: 62240-37-3
2-(2-methyl-1,3-dioxolane-2-yl)ethan-1-amine

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 1236223-25-8
C13H16N2O5

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In tetrahydrofuran for 4h; regioselective reaction;	94%

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: nickel(II) chloride hexahydrate

: 7732-18-5
water

: 4C6H4NO2(1-)*2Ni(2+)*3H2O

Conditions

Conditions	Yield
With sodium hydroxide at 160℃; under 760.051 Torr; for 96h; Autoclave;	92.8%

...Expand

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 64-17-5
ethanol

: 2050-22-8
2,3-diethyl pyridinedicarboxylate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 100℃; for 120h;	91.8%
With sulfuric acid at 100℃; for 12h; Sealed tube;	90%
With sulfuric acid at 19℃; for 17.5h; Fischer esterification; Reflux; Inert atmosphere; Large scale reaction;	78%

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 55155-23-2
2,3-pyridinedicarboxylic acid chloride

Conditions

Conditions	Yield
With phosphorus pentachloride at 180℃; for 2h;	91%
With phosphorus pentachloride
With thionyl chloride for 2h; Reflux;
With thionyl chloride for 18h; Reflux;
With thionyl chloride In toluene for 60h;

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 100-46-9
benzylamine

: 18184-75-3
6-benzyl-5H-pyrrolo[3,4–b]pyridine-5,7(6H)-dione

Conditions

Conditions	Yield
With silica gel In neat (no solvent) at 150℃; for 18h; Inert atmosphere; Sealed tube;	91%
With acetic anhydride In toluene at 30 - 60℃;	90%
Stage #1: Pyridine-2,3-dicarboxylic acid With acetic anhydride In toluene for 3h; Reflux; Stage #2: benzylamine With sodium acetate In toluene at 45℃; for 3h; Reflux;	77%
With acetic anhydride In toluene

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 111-26-2
hexan-1-amine

: 6-hexyl-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione

Conditions

Conditions	Yield
With silica gel In neat (no solvent) at 150℃; for 14h; Inert atmosphere; Sealed tube;	91%

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 2942-59-8
2-chloronicotinic acid

Conditions

Conditions	Yield
With potassium permanganate; chlorine In water at 85 - 90℃; Reagent/catalyst; Solvent;	91%

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 1600-27-7
mercury(II) diacetate

: pyridine-2,3-dicarboxylatomercury(II)*H2O

Conditions

Conditions	Yield
With sodium hydroxide; acetic acid In water addn. of pyridine-2,3-dicarboxylic acid in aqueous sodium hydroxide to a solution of mercuric acetate in water containing a few drops of acetic acid;; precipitation of the product; elem. anal.;;	90%

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 64-04-0
phenethylamine

: 18184-79-7
6-phenethyl-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione

Conditions

Conditions	Yield
With silica gel In neat (no solvent) at 150℃; for 18h; Inert atmosphere; Sealed tube;	89%

: 67-56-1
methanol

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 588702-69-6
methyl 3-trifluoro-2-pyridinecarboxylate

Conditions

Conditions	Yield
Stage #1: Pyridine-2,3-dicarboxylic acid With sulfur tetrafluoride; hydrogen fluoride at 60℃; for 24h; Stage #2: methanol at 80℃; for 3h;	88.7%

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 2398-81-4
Nicotinic acid N-oxide

Conditions

Conditions	Yield
With dihydrogen peroxide In water at 90℃; for 1h;	88%
Multi-step reaction with 4 steps 1: 93 percent / hydrogen chloride 2: 70 percent / m-chloroperbenzoic acid / CHCl3 / 8 h / Heating 3: 1.) hydrazine hydrate, 2.) hydrochloric acid / 1.) methanol, reflux, 30 min, 2.) water, heating, 24 h 4: 51 percent / 30percent hydrogen peroxide, acetic acid / 3 h / 95 °C View Scheme

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 140-75-0
para-fluorobenzylamine

: 6-(4-fluorobenzyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione

Conditions

Conditions	Yield
With silica gel In neat (no solvent) at 150℃; for 24h; Inert atmosphere; Sealed tube;	87%

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 605-38-9
dimethyl 2,3-pyridinedicarboxylate

Conditions

Conditions	Yield
In methanol	85%
With hydrogenchloride In methanol for 22h; Reflux;

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: zinc(II) nitrate hexahydrate

: 7803-57-8
hydrazine hydrate

: 752205-13-3
[Zn(pyridine-2,3-dicarboxylic acid-2H)(hydrazine)(H2O)]

Conditions

Conditions	Yield
In water by addn. of an aq. soln. of a ligand (0.5 mmol) and hydrazine hydrate (2mmol) to the aq. soln. of metal nitrate hydrate (0.5 mmol); the ppt. was collected, washed with water, ethanol, and diethyl ether, and air-dried; elem. anal.;	85%

...Expand

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 2393-23-9
4-methoxy-benzylamine

: 442882-27-1
6-(4-methoxybenzyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione

Conditions

Conditions	Yield
With silica gel In neat (no solvent) at 150℃; for 18h; Inert atmosphere; Sealed tube;	85%

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 4664-00-0
2,3-pyridinedicarboximide

Conditions

Conditions	Yield
With ammonium hydroxide at 140℃; for 6h; Reagent/catalyst;	84%
With ammonia In water for 0.133333h; microwave irradiation;	75%
Stage #1: Pyridine-2,3-dicarboxylic acid With acetic anhydride at 120℃; Stage #2: With acetamide for 2.5h; Heating;	56%

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 20667-12-3
silver(l) oxide

: 27876-61-5
Ag1-Ag2(pyridine-2,3-dicarboxylic acid)n

Conditions

Conditions	Yield
With ammonia In water; N,N-dimethyl-formamide; acetonitrile at 40℃; for 0.5h; Sonication;	84%

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 524-95-8
2-Aminoethoxydiphenylborane

: 1361544-33-3
(ethanolammonium)[diphenyl((2-(3-carboxypyridyl))-carbonyloxy-O,N)borinate]

Conditions

Conditions	Yield
In methanol under dry Ar atm.; react. of C7H5NO4 and Ph2BOCH2CH2NH2 in MeOH at -78°C; solvent evapd., ppt. washed (pentane/hexane, 1:1), crystd. from EtOH at 4°C; elem. anal., detd. by TG-DTA-DTG;	82%
Stage #1: 2-Aminoethoxydiphenylborane With methanol at -78℃; Stage #2: Pyridine-2,3-dicarboxylic acid	82%

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: scandium (III) chloride hexahydrate

: 7732-18-5
water

: [Sc(2,3-pyridinedicarboxylate)(Hpydc)(H2O)]·H2O

Conditions

Conditions	Yield
With potassium hydroxide at 100℃; for 24h; Autoclave;	80.8%

...Expand

: 110-86-1
pyridine

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: nickel(II) perchlorate hexahydrate

: 635291-87-1
catena-poly[[diaquapyridinenickel(II)]-μ-pyridine-2,3-dicarboxylato-κ3N,O2:O3]

Conditions

Conditions	Yield
In pyridine; ethanol; water High Pressure; Ni(ClO4)2*6H2O, quinolinic acid and pyridine dissolved in ethanol/water;mixt. placed in Teflon-lined stainless steel vessel, vessel sealed and heated to 403 K for 72 h, cooled to room temp.; crystals filtered off and washed with water and ethanol;	80%

...Expand

: cobalt(II) nitrate hexahydrate

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 7803-57-8
hydrazine hydrate

: 752205-11-1
[Co(pyridine-2,3-dicarboxylic acid-2H)(hydrazine)(H2O)]

Conditions

Conditions	Yield
In water by addn. of an aq. soln. of a ligand (0.5 mmol) and hydrazine hydrate (2mmol) to the aq. soln. of metal nitrate hydrate (0.5 mmol); the ppt. was collected, washed with water, ethanol, and diethyl ether, and air-dried; elem. anal.;	80%

...Expand

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: cadmium(II) nitrate tetrhydrate

: 7803-57-8
hydrazine hydrate

: 752205-14-4
[Cd(pyridine-2,3-dicarboxylic acid-2H)(hydrazine)]*H2O

Conditions

Conditions	Yield
In water by addn. of an aq. soln. of a ligand (0.5 mmol) and hydrazine hydrate (2mmol) to the aq. soln. of metal nitrate hydrate (0.5 mmol); the ppt. was collected, washed with water, ethanol, and diethyl ether, and air-dried; elem. anal.;	80%

...Expand

Quinolinic acid Consensus Reports

Reported in EPA TSCA Inventory.

Quinolinic acid Specification

The Quinolinic acid, with the CAS registry number 89-00-9,is also known 2,3-Pyridinedicarboxylic acid; Pyridine-2,3-dicarboxylic acid. It belongs to the product categories of Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals.Its EINECS number is 201-874-8. This chemical's molecular formula is C₇H₅NO₄ and molecular weight is 167.12. What's more,Its systematic name is 2,3-Pyridinedicarboxylic acid.It is White powder or Light yellow powder.It is a metabolite of tryptophan with a possible role in neurodegenerative disorders. Elevated CSF levels of quinolinic acid are correlated with the severity of neuropsychological deficits in patients who have AIDS.

Physical properties about Quinolinic acid are:
(1)ACD/LogP: -0.441; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.84; (4)ACD/LogD (pH 7.4): -4.57; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.628; (13)Molar Refractivity: 38.204 cm³; (14)Molar Volume: 107.716 cm³; (15)Surface Tension: 83.5650024414063 dyne/cm; (16)Density: 1.551 g/cm³; (17)Flash Point: 210.854 °C; (18)Enthalpy of Vaporization: 71.645 kJ/mol; (19)Boiling Point: 425.036 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:c1cc(c(nc1)C(=O)O)C(=O)O;
(2)Std. InChI:InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12);
(3)Std. InChIKey:GJAWHXHKYYXBSV-UHFFFAOYSA-N.

Safety Information of Quinolinic acid:
The Quinolinic acid is danger of cumulative effects .It is irritating to eyes, respiratory system and skin.When you use it ,wear suitable protective clothing and gloves and avoid contact with skin and eyes .In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Product Name

Quinolinic acid

Synthetic route

Quinolinic acid Consensus Reports

Quinolinic acid Specification

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