Methyl indole-3-carboxylate

Bezeichnung:Methyl indole-3-carboxylate

CAS-Nr942-24-5

Englisch Name:Methyl indole-3-carboxylate

CBNumberCB9385281

SummenformelC10H9NO2

Molgewicht175.18

MOL-Datei942-24-5.mol

Methyl indole-3-carboxylate physikalisch-chemischer Eigenschaften

Schmelzpunkt	149-152 °C (lit.)
Siedepunkt	306.47°C (rough estimate)
Dichte	1.1999 (rough estimate)
Brechungsindex	1.5060 (estimate)
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	DMSO (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
pka	15.42±0.30(Predicted)
Farbe	Light Pink
Wasserlöslichkeit	Slightly soluble methanol and dimethyl sulfoxide. Insoluble in water.
BRN	142023
InChI	InChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3
InChIKey	QXAUTQFAWKKNLM-UHFFFAOYSA-N
SMILES	N1C2=C(C=CC=C2)C(C(OC)=O)=C1
CAS Datenbank	942-24-5(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-36-37/39
WGK Germany	3
HazardClass	IRRITANT
HS Code	29339900

Gefahreninformationscode (GHS)

Methyl indole-3-carboxylate Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
Chemische Eigenschaften
light brown amorphous powder
Verwenden
Reactant for preparation of:
- Nitric oxide synthase (nNOS) inhibitorS
- Protein kinase c alpha (PKCα) inhibitors
- Inhibitors of the C-terminal domain of RNA polymerase II as antitumor agents
- Kinase insert domain receptor (KDR) inhibitors
- Organocatalysts for the anti-Mannich reaction
- Very late antigen-4 (VLA-4) antagonists
- Inhibitors of Human 5-Lipoxygenase
- Serotonin 5-HT4 receptor antagonists
- Hyaluronidase inhibitors
Reactant for:
- Enantioselective Meerwein-Eschenmoser Claisen rearrangement reactions?
Verwenden
Methyl indole-3-carboxylate is a reagent in the preaparation of oncrasin-1 derivatives which is a novel inhibitor of the C-terminal domain of RNA polymerase II.
Definition
ChEBI: Methyl indole-3-carboxylate is the methyl ester of indole-3-carboxylic acid. It has a role as a metabolite. It is a member of indoles and a methyl ester. It is functionally related to an indole-3-carboxylic acid.
Allgemeine Beschreibung
Methyl indole-3-carboxylate (3-Methoxycarbonylindole, 3-Carbomethoxyindole, Methyl indolyl-3-carboxylate) has been extracted from the marine Streptomyces sp. 060524. Its crystal structure indicates the presence of inter-molecular N-H…O hydrogen bond. It is also obtained during the isolation of sorazinones A and B from Sorangium cellulosum strain Soce895. It undergoes regioselective dibromination with bromine in acetic acid to afford methyl 5,6-dibromoindole-3-carboxylate.

Methyl indole-3-carboxylate Upstream-Materialien And Downstream Produkte

Methyl indole-3-carboxylate Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

942-24-5, Methyl indole-3-carboxylate Verwandte Suche:

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