Indol-3-carbonsure

Bezeichnung:Indol-3-carbonsure

CAS-Nr771-50-6

Englisch Name:Indole-3-carboxylic acid

CBNumberCB4416867

SummenformelC9H7NO2

Molgewicht161.16

MOL-Datei771-50-6.mol

Synonyma

Indol-3-carbonsure

Indol-3-carbonsure physikalisch-chemischer Eigenschaften

Schmelzpunkt	232-234 °C (dec.)(lit.)
Siedepunkt	287.44°C (rough estimate)
Dichte	1.2480 (rough estimate)
Brechungsindex	1.5050 (estimate)
storage temp.	2-8°C
Löslichkeit	Soluble in 95% Ethanol: 50 mg/ml, also soluble in methanol.
Aggregatzustand	Powder
pka	3.90±0.10(Predicted)
Farbe	Light beige
BRN	129435
InChI	InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
InChIKey	KMAKOBLIOCQGJP-UHFFFAOYSA-N
SMILES	N1C2=C(C=CC=C2)C(C(O)=O)=C1
CAS Datenbank	771-50-6(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xn,Xi
R-Sätze:	36/37/38-21/22
S-Sätze:	22-24/25-36/37/39-26
WGK Germany	3
RTECS-Nr.	NK7882892
HazardClass	IRRITANT
HS Code	29339900

Gefahreninformationscode (GHS)

Indole-3-carboxylic acid Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
R21/22:Gesundheitsschädlich bei Berührung mit der Haut und beim Verschlucken.
S-Sätze Betriebsanweisung:
S22:Staub nicht einatmen.
S24/25:Berührung mit den Augen und der Haut vermeiden.
S36/37/39:Bei der Arbeit geeignete Schutzkleidung,Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
Chemische Eigenschaften
light beige crystalline powder (recrystallized from acetate-petroleum ether). Soluble in ethanol, ether, acetate, insoluble in boiling water, benzene, insoluble in petroleum ether.
Application
Indole-3-carboxylic Acid is a specific and competitive inhibitor of the potentiation of glycine of NMDA-gated current. Chemical reagent in the synthesis of thiadiazole derivatives used for anticancer activity.
synthetische
indole-3-carboxylic acid can be synthesized by the hydrolysis reaction of 3-trichloroacetyl indole: add 235g 3-trichloroacetyl indole into 1000ml methanol, slowly drop an appropriate amount of 50% KOH solution, heat up and reflux for 18 hours, cool to room temperature, The methanol was recovered by concentration, and the residual liquid was left; 1500 ml of water was added to the residual liquid, hydrochloric acid was added dropwise to adjust pH=3～4, and then filtered, and the solid obtained by filtration was dried to obtain 144g of indole-3-carboxylic acid crude product; The crude product was slurried with 100g of ethyl acetate for 25 minutes,filtered and dried to obtain indole-3-carboxylic acid (137g, yield 91.8%).
Definition
ChEBI: Indole-3-carboxylic acid is an indole-3-carboxylic acid carrying a carboxy group at position 3. It has a role as a human metabolite and a bacterial metabolite. It is a conjugate acid of an indole-3-carboxylate.
Allgemeine Beschreibung
The structures of the derivatives of indole-3-carboxylic acid were studied using gas chromatography with high resolution mass spectrometry (GC-HRMS), ultra-high performance liquid chromatography in combination with high resolution tandem mass spectrometry (UHPLC-HRMS), nuclear magnetic resonance spectroscopy (NMR) and Fourier transform infrared spectroscopy (FT-IR).
target
5-HT Receptor

Indole-3-carboxylic acid Upstream-Materialien And Downstream Produkte

Indol-3-carbonsure Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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