≥95% 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.
| Canonical Smiles | CC(C)(C)OC(=O)N1CC(C2=C3C=C(N(C3=C(C=C21)OCC4=CC=CC=C4)C(=O)OC(C)(C)C)C(=O)OC)CCl |
|---|---|
| IUPAC Name | 3-O,6-O-ditert-butyl 2-O-methyl 8-(chloromethyl)-4-phenylmethoxy-7,8-dihydropyrrolo[3,2-e]indole-2,3,6-tricarboxylate |
| InChIKey | OGQAYVUPTQRFRK-UHFFFAOYSA-N |
| INCHI | 1S/C30H35ClN2O7/c1-29(2,3)39-27(35)32-16-19(15-31)24-20-13-22(26(34)37-7)33(28(36)40-30(4,5)6)25(20)23(14-21(24)32)38-17-18-11-9-8-10-12-18/h8-14,19H,15-17H2,1-7H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CC(C2=C3C=C(N(C3=C(C=C21)OCC4=CC=CC=C4)C(=O)OC(C)(C)C)C(=O)OC)CCl |
| PubChem CID | 10918841 |
| Molecular Weight | 571.1 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Pyrroloindoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrroloindoles |
| Alternative Parents | Indolecarboxylic acids Indoles Pyrrole carboxylic acids and derivatives Phenol ethers Alkyl aryl ethers Substituted pyrroles Benzene and substituted derivatives Carbamate esters Heteroaromatic compounds Methyl esters Azacyclic compounds Alkyl chlorides Carbonyl compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxylic acid - Indolecarboxylic acid derivative - Pyrroloindole - Indole - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-1-carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Methyl ester - Carbamic acid ester - Pyrrole - Carboxylic acid ester - Azacycle - Ether - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl chloride - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. |
| External Descriptors | Not available |
| Molecular Weight | 571.100 g/mol |
|---|---|
| XLogP3 | 6.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 10 |
| Exact Mass | 570.213 Da |
| Monoisotopic Mass | 570.213 Da |
| Topological Polar Surface Area | 96.300 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 926.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![3,6-Di-tert-butyl 2-methyl 4-(benzyloxy)-8-(chloromethyl)-7,8-dihydropyrrolo[3,2-e]indole-2,3,6-tricarboxylate - ≥95% , CAS No.539856-46-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)