≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Application：
Reactant for preparation of:
Asymmetric intramolecular Friedel-Crafts alkylation reaction
Palladium-catalyzed carboaminoxylations with arylboronic acids and TEMPO catalyst
Fluorescent pyrimidopyrimidoindole nucleosides via Suzuki-Miyaura coupling reaction
Novel conformationally restricted β- and γ-amino acids
2-(Indolyl) borates, silanes, and silanols
DNA minor groove alkylating agents as stable amine-based prodrugs designed for tumor-specific release
| Pubchem Sid | 504766776 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504766776 |
| Canonical Smiles | CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)OC |
| IUPAC Name | tert-butyl 5-methoxyindole-1-carboxylate |
| InChIKey | LPSLGTZFBDZNEK-UHFFFAOYSA-N |
| INCHI | 1S/C14H17NO3/c1-14(2,3)18-13(16)15-8-7-10-9-11(17-4)5-6-12(10)15/h5-9H,1-4H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)OC |
| WGK Germany | 3 |
| Molecular Weight | 247.3 |
| Reaxy-Rn | 4443634 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4443634&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxylic acids |
| Alternative Parents | Indoles Pyrrole carboxylic acids and derivatives Anisoles Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxylic acid - Indole - Anisole - Phenol ether - Pyrrole-1-carboxylic acid or derivatives - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole. |
| External Descriptors | Not available |
| Melt Point(°C) | 75-79 °C |
|---|---|
| Molecular Weight | 247.290 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 247.121 Da |
| Monoisotopic Mass | 247.121 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 311.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
B23181044