2-(4-Methylbenzyl)-3-oxo-2,3,5,6,7,8-hexahydrocinnoline-6-carboxylic acid CAS 1706439-45-3
| CAS No. | 1706439-45-3 |
| Molecular Formula | C17H18N2O3 |
| Molecular Weight | 298.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 298.34 g/mol gives 2-(4-Methylbenzyl)-3-oxo-2,3,5,6,7,8-hexahydrocinnoline-6-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 2-(4-Methylbenzyl)-3-oxo-2,3,5,6,7,8-hexahydrocinnoline-6-carboxylic acid (CAS 1706439-45-3), a certified reference material (molecular formula C17H18N2O3, MW 298.34 g/mol) for analytical method development and quality control.
The molecular framework of 2-(4-Methylbenzyl)-3-oxo-2,3,5,6,7,8-hexahydrocinnoline-6-carboxylic acid (C17H18N2O3) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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), 2-(4-Methylbenzyl)-3-oxo-2,3,5,6,7,8-hexahydrocinnoline-6-carboxylic acid 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 | C17H18N2O3 |
| Molecular Weight | 298.34 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Nitrogen Atoms | 2 |
Related Methylbenzyl Standards
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- 2-((2-Methylbenzyl)sulfonyl)quinoxaline (CAS 338977-87-0)
- 4-(5-((4-Methylbenzyl)thio)-1,3,4-oxadiazol-2-yl)phenol (CAS 482613-68-3)
- 1-(3-Methylbenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS 1415825-06-7)
- 1-(2-Methylbenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS 1604036-74-9)
- 3-((2-Methylbenzyl)thio)-5-(pyridin-2-yl)-4H-1,2,4-triazol-4-amine (CAS 585558-97-0)
- 3-((2-Methylbenzyl)thio)-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-amine (CAS 578754-00-4)
Recommended Standards
- 2-Isobutyl-9-methyl-1-oxo-2,9-dihydro-1H-beta-carboline-4-carboxylic acid (CAS 1706435-17-7)
- 6-Methoxy-2-(4-propoxyphenyl)-2H-benzo[d][1,2,3]triazol-5-amine (CAS 1706450-17-0)
- 1-(Isoquinolin-6-yl)-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)urea (CAS 1687736-54-4)
- N-(3-(Allyloxy)phenyl)-3-amino-4-methoxybenzamide (CAS 1706463-11-7)
- 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CAS 178488-36-3)
- 1-(1,4-Diazepan-1-yl)-3-(4-methoxyphenyl)propan-1-one (CAS 1016684-28-8)
- 4-(Methylamino)benzenethiol (CAS 4946-21-8)
- Benzyl 8-bromo-6-chloro-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS 2680664-07-5)
- N1-(2-(Cyclohex-1-en-1-yl)ethyl)-N2-(3-fluorophenyl)oxalamide (CAS 341006-73-3)
- 1-(4-Chlorophenyl)-2-(4-methoxyphenyl)ethanone (CAS 92435-56-8)
- N-(2-bromo-4-methylphenyl)-3,5-dimethoxybenzamide (CAS 352688-91-6)
- 2-((1-(4-Fluorophenyl)ethyl)amino)acetic acid (CAS 1094239-41-4)
- 2,2'-(Piperazine-1,4-diyl)bis(ethan-1-amine) tetrahydrochloride (CAS 852392-58-6)
- C-Peptide（dog） (CAS 39016-05-2)
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