tert-Butyl 1-(tert-butoxy)isoquinoline-2(1H)-carboxylate CAS 404586-94-3
| CAS No. | 404586-94-3 |
| Molecular Formula | C18H25NO3 |
| Molecular Weight | 303.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 303.40 g/mol gives tert-Butyl 1-(tert-butoxy)isoquinoline-2(1H)-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
tert-Butyl 1-(tert-butoxy)isoquinoline-2(1H)-carboxylate (CAS 404586-94-3), molecular formula C18H25NO3 and molecular weight 303.40 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, tert-Butyl 1-(tert-butoxy)isoquinoline-2(1H)-carboxylate (C18H25NO3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 303.40 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), tert-Butyl 1-(tert-butoxy)isoquinoline-2(1H)-carboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C18H25NO3 |
| Molecular Weight | 303.40 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 1 |
Recommended Standards
- Tert-butyl (S)-3-hydroxy-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate (CAS 231938-26-4)
- tert-Butyl 3-(phenylacetyl)piperidine-1-carboxylate (CAS 956576-90-2)
- tert-Butyl (R)-4-oxo-1-((S)-1-phenylethyl)piperidine-2-carboxylate (CAS 930111-75-4)
- Tert-butyl 4-(2-methylbenzoyl)piperidine-1-carboxylate (CAS 912769-10-9)
- 5-(p-Tolyldiazenyl)quinolin-8-ol (CAS 32903-07-4)
- 1-Iodopropane-d7 (stabilized with copper) (CAS 59012-23-6)
- (3-Aminoazetidin-1-yl)(naphthalen-2-yl)methanone (CAS 1275432-55-7)
- 2-Bromo-4-(pyridin-3-yl)thiazole (CAS 886370-95-2)
- Methyl 5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylate (CAS 1427504-24-2)
- tert-butyl N-(1-ethylcyclopropyl)carbamate (CAS 1391740-20-7)
- 3-(1-Methyl-2,4-dioxo-1,2-dihydrothieno[3,2-d]pyrimidin-3(4H)-yl)propanoic acid (CAS 1708079-98-4)
- 3-Bromo-6-(trifluoromethyl)pyridine-2-carboxylic Acid Methyl Ester (CAS 1211538-62-3)
- Methyl 3-(4-bromophenyl)-2,2-dimethylpropanoate (CAS 186498-29-3)
- Semaglutide impurity 89 (CAS CATO-C4X-222689)
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