3-((4-Fluorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS 691868-94-7
| CAS No. | 691868-94-7 |
| Molecular Formula | C24H21FN2S |
| Molecular Weight | 388.50 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-((4-Fluorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
3-((4-Fluorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 691868-94-7), molecular formula C24H21FN2S and molecular weight 388.50 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution, 3-((4-Fluorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 388.50 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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), 3-((4-Fluorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 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 | C24H21FN2S |
| Molecular Weight | 388.50 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Fluorobenzyl Standards
- 2-((4-Fluorobenzyl)thio)-1-(o-tolyl)-5-(p-tolyl)-1H-imidazole (CAS 1207026-85-4)
- 2-((4-Fluorobenzyl)thio)-1,5-di-p-tolyl-1H-imidazole (CAS 1207042-56-5)
- 3-[(3-Fluorobenzyl)sulfanyl]-1-(3-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile (CAS 439107-42-3)
- 6-(2-Fluorobenzyl)-4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)isothiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione (CAS 1251690-75-1)
- 2-((3-(4-Fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-morpholinoethan-1-one (CAS 863453-10-5)
- N-(4-fluorobenzyl)-4-(3-(trifluoromethyl)benzoyl)-1H-pyrrole-2-carboxamide (CAS 439111-42-9)
- (3-(2-((4-Fluorobenzyl)oxy)phenyl)-1H-pyrazol-1-yl)(4-fluorophenyl)methanone (CAS 477713-48-7)
- 4-(2-(1-(4-Fluorobenzyl)-1H-indol-3-yl)ethyl)thiomorpholine 1,1-dioxide (CAS 478040-87-8)
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