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1H-indazole-6-carboxylic acid

1H-indazole-6-carboxylic acid Struktur
704-91-6
CAS-Nr.
704-91-6
Englisch Name:
1H-indazole-6-carboxylic acid
Synonyma:
6-Carboxy-1H-indazole;INDAZOLE-6-CARBOXYLIC ACID;1H-Indazole-6-carboylic acid;1H-Indazol-6-carboxylic acid;1-H-indazole-6-carboxyle acid;1H-INDAZOLE-6-CARBOXYLIC ACID;6-(1H)INDAZOLE CARBOXYLIC ACID;1H-Indazole-6-carboxylic acid 97%;1H-Indazole-6-carboxylic acid, 97%+;1H-Indazole-6-carboxylic acid
CBNumber:
CB3113514
Summenformel:
C8H6N2O2
Molgewicht:
162.15
MOL-Datei:
704-91-6.mol

1H-indazole-6-carboxylic acid Eigenschaften

Schmelzpunkt:
302-307 °C
Siedepunkt:
443.7±18.0 °C(Predicted)
Dichte
1.506±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
pka
4.01±0.30(Predicted)
Aggregatzustand
Crystalline Powder
Farbe
White to light brown
InChI
InChI=1S/C8H6N2O2/c11-8(12)5-1-2-6-4-9-10-7(6)3-5/h1-4H,(H,9,10)(H,11,12)
InChIKey
DNCVTVVLMRHJCJ-UHFFFAOYSA-N
SMILES
N1C2=C(C=CC(C(O)=O)=C2)C=N1
Sicherheit
  • Risiko- und Sicherheitserkl?rung
  • Gefahreninformationscode (GHS)
WGK Germany  3
HazardClass  IRRITANT
HS Code  29339980
Speicherklasse 11 - Combustible Solids
Bildanzeige (GHS) Exclamation Mark (GHS07)
Alarmwort Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code
H315 Verursacht Hautreizungen. Hautreizung Kategorie 2 Warnung P264, P280, P302+P352, P321,P332+P313, P362
H319 Verursacht schwere Augenreizung. Schwere Augenreizung Kategorie 2 Warnung P264, P280, P305+P351+P338,P337+P313P
H335 Kann die Atemwege reizen. Spezifische Zielorgan-Toxizit?t (einmalige Exposition) Kategorie 3 (Atemwegsreizung) Warnung
Sicherheit
P261 Einatmen von Staub vermeiden.
P305+P351+P338 BEI KONTAKT MIT DEN AUGEN: Einige Minuten lang behutsam mit Wasser spülen. Eventuell vorhandene Kontaktlinsen nach M?glichkeit entfernen. Weiter spülen.

1H-indazole-6-carboxylic acid Chemische Eigenschaften,Einsatz,Produktion Methoden

Verwenden

1H-Indazole-6-carboxylic Acid is used as a reagent to synthesize azabicyclic aryl amides, which act as α7 nicotinic acetylcholine receptor agonists.

synthetische

Synthesis of 1H-indazole-6-carboxylic acid, H2L3: MeL3Ac (1.0 g; 4.6 mmol) was dissolved in 40 mL THF, and this solution was added to a 40 mL aqueous solution of lithium hydroxide (5.0 g; 210 mmol). The resulting suspension was heated at reflux with vigorous stirring overnight, after which time the solution was concentrated under vacuum to remove the organic phase. The resulting solution was filtered, adjusted to pH 3 with conc. HCl, to precipitate the product as a pale brown solid, which was filtered, washed with water and dried under vacuum. Yield 315 mg, 43%. mp 292–296 °C (decomp);
δH (500 MHz, d6-DMSO): 7.67 (dd, 1H, J = 8.3, 1.0 Hz, H4 ), 7.85 (dd, 1H, J = 8.3, 0.8 Hz, H3 ), 8.15 (s, 1H, H6 ), 8.18 (d, 1H, J = 0.8 Hz, H2 ), 13.24 (br s, 2H, H1 & H5 ); δC (125 MHz, CD3OD): 114.1, 122.0, 122.6, 127.1, 130.6, 135.2, 141.4, 170.4; HRMS-ESI m/z: found: 163.0503; C8H7N2O2 requires: 163.0502 [M + H+ ]; ˉνmax/cm1 (KBr): 3258 br, 2864 br, 2582 br, 1679 s, 1579 m, 1518 m, 1425 m, 1230 s, 1087 m, 954 s, 857 m, 762 m, 693 m.

1H-indazole-6-carboxylic acid Upstream-Materialien And Downstream Produkte

Upstream-Materialien

Downstream Produkte


1H-indazole-6-carboxylic acid Anbieter Lieferant Produzent Hersteller Vertrieb H?ndler.

Global( 154)Lieferanten
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704-91-6()Verwandte Suche:


  • INDAZOLE-6-CARBOXYLIC ACID
  • 1H-INDAZOLE-6-CARBOXYLIC ACID
  • 6-(1H)INDAZOLE CARBOXYLIC ACID
  • 1H-Indazole-6-carboxylic acid 97%
  • 1H-Indazole-6-carboxylic acid, 97%+
  • 6-Carboxy-1H-indazole
  • 1-H-indazole-6-carboxyle acid
  • 1H-Indazol-6-carboxylic acid
  • 1H-Indazole-6-carboylic acid
  • 1H-Indazole-6-carboxylic acid (7CI, 8CI, 9CI, ACI)
  • 1H-Indazole-6-carboxylic acid
  • 704-91-6
  • Indazoles
  • Building Blocks
  • Indazole
  • pharmacetical
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