Ethyl 4,6-Dihydroxynicotinate
Grundinformationen
- CAS
6975-44-6- Standard-SMILES
CCOC(=O)c1c[nH]c(=O)cc1O- InChIKey
QDHHLXABEXNRJX-UHFFFAOYSA-N- Summenformel
- C8H9NO4
- Durchschnittliche Molmasse
- 183,16 g/mol
- Monoisotopische Masse
- 183,05315777
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 4,6-Dihydroxynicotinate
- IUPAC
- ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
- Englischer Name
- 4, 6-DIHYDROXYNICOTINIC ACID ETHYL ESTER
- Summenformel
- C8H9NO4
- Molmasse
- 183.16
Namen und Synonyme
ethyl 4,6-dihydroxynicotinateRefChem:595133811-815-36975-44-64,6-Dihydroxynicotinic acid ethyl ester4, 6-Dihydroxynicotinic acid ethyl esterethyl 4,6-dihydroxypyridine-3-carboxylateEthyl4,6-dihydroxynicotinateMFCD00834976ethyl 6-hydroxy-4-oxo-1H-pyridine-3-carboxylate4,6-Dihydroxypyridine-3-carboxylic acid ethyl esterethyl 4-hydroxy-6-oxo-1,6-dihydropyridine-3-carboxylate
Weitere Namen anzeigen
ethyl 2,4-dihydroxypyridine-5-carboxylateNSC 22486BUTTPARK 153\57-32SPECS AC-907/341260522,4-Dihydroxy-5-(ethoxycar2,4-Dihydroxy-5-(ethoxycarbonyl)pyridine4,6-Dihydroxynicotinic acid ethyl ester ,97%
NSC22486ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylateNSC-22486IDI1_0188181,6-Dihydro-4-hydroxy-6-oxo-3-pyridinecarboxylic acid ethyl esterEthyl 4,?6-?Dihydroxynicotinate4,6-Dihydroxynicotinic3-PYRIDINECARBOXYLIC ACID, 4,6-DIHYDROXY-, ETHYL ESTER
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 75,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 303
Physikochemische Eigenschaften
- Schmelzpunkt
- 214 · 214-217°
- Siedepunkt
- 339.4 · 339.4±42.0 °C(Predicted)
- Dichte
- 1.38 · 1.380
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- powder to crystal
- pka
- 4.5 · 4.50±1.00(Predicted)
- Farbe
- White to Orange to Green
- InChI
- InChI=1S/C8H9NO4/c1-2-13-8(12)5-4-9-7(11)3-6(5)10/h3-4H,2H2,1H3,(H2,9,10,11)
- InChIKey
- QDHHLXABEXNRJX-UHFFFAOYSA-N
- SMILES
- C1NC(=O)C=C(O)C=1C(OCC)=O
- CAS Datenbank
- 6975 · 6975-44-6
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- hs_code
- 29339900
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
Chemie und Industrie
Anwendungen
VerwendenEthyl 4,6-dihydroxynicotinate has been used as a reactant is the synthesis of pyridazinopyrimidinone and pyridopyrimidinone derivatives as PDE5 inhibitors and for the synthesis of pyridone diaryl ether non-nucleoside inhibitors of HIV-1 reverse transcriptase.
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