≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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)N1CCC2=C(C(=C(C=C2C1)Cl)C(=O)OC)Cl |
|---|---|
| IUPAC Name | 2-O-tert-butyl 6-O-methyl 5,7-dichloro-3,4-dihydro-1H-isoquinoline-2,6-dicarboxylate |
| InChIKey | PRZAATYTHSOJPG-UHFFFAOYSA-N |
| INCHI | 1S/C16H19Cl2NO4/c1-16(2,3)23-15(21)19-6-5-10-9(8-19)7-11(17)12(13(10)18)14(20)22-4/h7H,5-6,8H2,1-4H3 |
| Molecular Weight | 360.200 |
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 | Tetrahydroisoquinolines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetrahydroisoquinolines |
| Alternative Parents | 2-halobenzoic acids and derivatives Aryl chlorides Vinylogous halides Methyl esters Carbamate esters Tertiary amines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Tetrahydroisoquinoline - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aryl chloride - Aryl halide - Benzenoid - Carbamic acid ester - Vinylogous halide - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. |
| External Descriptors | Not available |
| Molecular Weight | 360.200 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 359.069 Da |
| Monoisotopic Mass | 359.069 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 465.000 |
| 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 |
