4-(4-tert-Butylbenzoyl)isoquinoline CAS 1187171-66-9
| CAS No. | 1187171-66-9 |
| Molecular Formula | C20H19NO |
| Molecular Weight | 289.37 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(4-tert-Butylbenzoyl)isoquinoline is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-(4-tert-Butylbenzoyl)isoquinoline (CAS 1187171-66-9), molecular formula C20H19NO and molecular weight 289.37 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-(4-tert-Butylbenzoyl)isoquinoline (C20H19NO) contains a steroid core, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 289.37 g/mol, it falls into the medium-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.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), 4-(4-tert-Butylbenzoyl)isoquinoline 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 | C20H19NO |
| Molecular Weight | 289.37 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Nitrogen Atoms | 1 |
Related tert Standards
- 4-(4-tert-Butylbenzoyl)quinoline (CAS 1706458-43-6)
- 4-(4-Butylbenzoyl)quinoline (CAS 1706460-97-0)
- 2-(4-Butylbenzoyl)phenyl acetate (CAS 890098-44-9)
- 2-(4-tert-Butylbenzoyl)-6-methylpyridine (CAS 1187164-41-5)
- 5-(4-tert-Butylbenzoyl)-2-chloropyridine (CAS 1187169-36-3)
- 4-(4-tert-Butylbenzoyl)-1H-pyrrole-2-carboxylic acid (CAS 439111-53-2)
- 2-(4-t-Butylbenzoyl)-5-(1,3-dioxolan-2-yl)thiophene (CAS 898778-43-3)
- 1-(4-tert-Butylbenzoyl)-3-(5-methyl-1,2-oxazol-3-yl)thiourea (CAS 477508-64-8)
Recommended Standards
- (4-Butylphenyl)(isoquinolin-4-yl)methanone (CAS 1187169-71-6)
- Tert-butyl 4-(3-formylphenyl)piperidine-1-carboxylate (CAS 1198285-38-9)
- (4-(tert-Butyl)phenyl)(quinolin-3-yl)methanone (CAS 1187169-10-3)
- 1-Benzoyl-5-(hexyloxy)pyrrolidin-2-one (CAS 119984-20-2)
- (2-(4-Methyl-2-phenylpiperazin-1-yl)pyridin-3-yl)methanol (CAS 337376-18-8)
- (R)-3-(4-chlorophenoxy)butanoic acid (CAS 148144-58-5)
- Amisulpride-d (CAS 1794786-83-6)
- 8-Benzyl-1,2,8-triazaspiro[4.5]Decan-3-one (CAS 785782-25-4)
- Thiane (CAS 1613-51-0)
- 2-(3-Bromophenyl)-4-chloropyrimidine (CAS 97604-15-4)
- (2E)-3-(4-Chlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]prop-2-en-1-one (CAS 328262-92-6)
- N-(5-Amino-2-fluorophenyl)-2-(4-methylphenoxy)-propanamide (CAS 1016765-39-1)
- N-Ethyl-4-(piperidin-4-yl)benzamide (CAS 2138509-50-7)
- D-Asp15-Tirzepatide (CAS CATO-CPTD788919)
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