Methyl indole-3-carboxylate - CAS 942-24-5
Catalog: |
BB041237 |
Product Name: |
Methyl indole-3-carboxylate |
CAS: |
942-24-5 |
Synonyms: |
methyl 1H-indole-3-carboxylate |
IUPAC Name: | methyl 1H-indole-3-carboxylate |
Description: | Methyl 3-indolecarboxylate isolated from the roots of Heracleum candicans. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | COC(=O)C1=CNC2=CC=CC=C21 |
InChI: | InChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3 |
InChI Key: | QXAUTQFAWKKNLM-UHFFFAOYSA-N |
Boiling Point: | 331.7 °C at 760 mmHg |
Melting Point: | 149-152°C (lit.) |
Purity: | 99 % |
Density: | 1.253 g/cm3 |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Powder |
Storage: | Keep in dark place,Sealed in dry,Room Temperature |
MDL: | MFCD00189407 |
LogP: | 1.95450 |
Quality Standard: | Enterprise Standard |
Refractive Index: | 1.5060 (estimate) |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113121542-A | 5, 10-indolino [3,2-b ] indole derivative and synthesis method and application thereof | 20210413 |
CN-113004188-A | Indole derivative, preparation method and application | 20210316 |
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PMID | Publication Date | Title | Journal |
22748378 | 20120801 | Synthesis and in vitro antiproliferative activity of new 11-aminoalkylamino-substituted 5H- and 6H-indolo[2,3-b]quinolines; structure-activity relationships of neocryptolepines and 6-methyl congeners | Bioorganic & medicinal chemistry |
21643565 | 20110721 | Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles | Organic & biomolecular chemistry |
18471015 | 20080606 | Synthesis of N-substituted indole-3-carboxylic acid derivatives via Cu(I)-catalyzed intramolecular amination of aryl bromides | The Journal of organic chemistry |
17877402 | 20071012 | Enantioselective synthesis of (-)-cis-clavicipitic acid | The Journal of organic chemistry |
15810730 | 20050101 | Hymeniacidon perleve associated bioactive bacterium pseudomonas sp. NJ6-3-1 | Prikladnaia biokhimiia i mikrobiologiia |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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