ChemicalBook--->CAS DataBase List--->490-11-9

490-11-9

490-11-9 Structure

490-11-9 Structure
IdentificationMore
[Name]

3,4-Pyridinedicarboxylic acid
[CAS]

490-11-9
[Synonyms]

3,4-PYRIDINEDICARBOXYLIC ACID
AKOS 92171
CINCHOMERONIC ACID
PYRIDINE-3,4-DICARBOXYLIC ACID
RARECHEM AL BO 1260
Chinchomeronic acid
cinchomeronic acid crystalline
3,4-PYRIDINEDICARBOXYLIC ACID (8CI,9CI)
Pyridine-3,4-dicarboxylicacid,97%
3,4-Ppyridine dicarboxylic acid
3,4-Pyridinedicarboxylic acid ,98%
[EINECS(EC#)]

207-705-4
[Molecular Formula]

C7H5NO4
[MDL Number]

MFCD00006392
[Molecular Weight]

167.12
[MOL File]

490-11-9.mol
Chemical PropertiesBack Directory
[Appearance]

white to slightly beige fine crystalline powder
[Melting point ]

262 °C (dec.) (lit.)
[Boiling point ]

295.67°C (rough estimate)
[density ]

1.5216 (rough estimate)
[refractive index ]

1.6280 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

2.34g/l
[form ]

Fine Crystalline Powder
[pka]

1.00±0.10(Predicted)
[color ]

White to slightly beige
[Water Solubility ]

2.34g/L(25 ºC)
[Detection Methods]

TA,HPLC,NMR
[Merck ]

14,2283
[BRN ]

137242
[InChI]

InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
[InChIKey]

MUYSADWCWFFZKR-UHFFFAOYSA-N
[SMILES]

C1=NC=CC(C(O)=O)=C1C(O)=O
[CAS DataBase Reference]

490-11-9(CAS DataBase Reference)
[NIST Chemistry Reference]

3,4-Pyridinedicarboxylic acid(490-11-9)
Questions And AnswerBack Directory
[Uses]

Due to the electron-withdrawing effect of the nitrogen atom on the ring, electrophilic substitution reactions are generally difficult to occur. However, nucleophilic substitution reactions on the pyridine ring are relatively easy to occur. Taking advantage of this property, a variety of important pyridine compounds can be prepared from 3,4-pyridinedicarboxylic acid and its derivatives. Because they often have good biological activity, they are often used as important raw materials or intermediates for the synthesis of pharmaceuticals and pesticides, playing an important role in the synthesis of pyridine drugs.
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 .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29333999
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Furo[3,4-c]pyridine-4-carboxylic acid, 1,3-dihydro-1,3-dioxo--->2,3,4-pyridine tricarboxylic acid
[Preparation Products]

3-Methoxyisonicotinaldehyde-->3-Hydroxypyridine-4-carboxaldehyde-->Methyl 3-hydroxyisonicotinate-->3-Amino-pyridine-4-carbaldehyde-->3-Amino-isonicotinic acid ethyl ester-->(3-Amino-pyridin-4-yl)-methanol-->4-Hydroxymethyl-pyridin-3-ol-->3-Amino-isonicotinic acid methyl ester-->3-Hydroxy-4-pyridinecarboxylic acid-->3-Aminoisonicotinic acid-->3-tert-Butoxycarbonylamino-isonicotinic acid-->3-(2,2-Dimethyl-propionylamino)-isonicotinic acid-->3-(9H-Fluoren-9-ylmethoxycarbonylamino)-isonicotinic acid-->3-Amino-4-pyridinecarboxyaldehyde hydrochloride-->3-Iodoisonicotinic acid-->4-Hydroxymethyl-nicotinic acid-->4-Carbamoylpyridine-3-carboxylic acid-->Ethyl isonicotinate-->4-(Methoxycarbonyl)nicotinic acid-->3,4-Pyridinedicarboximide-->Pyridine-3,4-dicarboxylic anhydride
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,4-Pyridinedicarboxylic acid(490-11-9).msds
Hazard InformationBack Directory
[Chemical Properties]

white to slightly beige fine crystalline powder
[Definition]

ChEBI: Cinchomeronic acid is a pyridinedicarboxylic acid. It is a conjugate acid of a cinchomeronate(1-).
[Synthesis]

750 g (5.55 mol) of concentrated sulfuric acid and 1.4 g (0.175 mol) of selenium powder were heated in a four-necked flask equipped with a stirrer, a thermometer, a dropping cylinder, and a large gas outlet tube. Once the temperature reached 275 degrees C
[Purification Methods]

Crystallise the acid from H2O or dilute aqueous HCl. It has also been purified via the dimethyl ester which is distilled (b 95-100o/1.5mm) and hydrolysed with 3.5N HCl, evaporated and recrystallised. [Armarego & Evans J Appl Chem 12 45 1962, Foye et al. J Med Chem 9 61 1966, Beilstein 22 H 155, 22 I 534, 22 II 106, 22 III/IV 1641, 22/4 V 135.]
Spectrum DetailBack Directory
[Spectrum Detail]

3,4-Pyridinedicarboxylic acid(490-11-9)MS
3,4-Pyridinedicarboxylic acid(490-11-9)1HNMR
3,4-Pyridinedicarboxylic acid(490-11-9)IR1
3,4-Pyridinedicarboxylic acid(490-11-9)IR2
3,4-Pyridinedicarboxylic acid(490-11-9)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,4-Pyridinedicarboxylic acid, 97%(490-11-9)
[Alfa Aesar]

Pyridine-3,4-dicarboxylic acid, 98%(490-11-9)
[Sigma Aldrich]

490-11-9(sigmaaldrich)
[TCI AMERICA]

3,4-Pyridinedicarboxylic Acid,>98.0%(GC)(T)(490-11-9)
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