Methyl 4-((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)-3-oxobutanoate CAS 674805-91-5
| CAS No. | 674805-91-5 |
| Molecular Formula | C16H18N2O3S |
| Molecular Weight | 318.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 4-((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)-3-oxobutanoate (CAS 674805-91-5), molecular formula C16H18N2O3S and molecular weight 318.39 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C16H18N2O3S, Methyl 4-((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)-3-oxobutanoate contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 318.39 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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), Methyl 4-((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)-3-oxobutanoate 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 | C16H18N2O3S |
| Molecular Weight | 318.39 g/mol |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- N-((2,4-dimethylphenyl)carbamoyl)-4-methylbenzenesulfonamide (CAS 499197-61-4)
- N-[6-Amino-1,2,3,4-tetrahydro-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-chloro-N-(2-methylpropyl)acetamide (CAS 561009-05-0)
- n-(4-Amino-2-chlorophenyl)methanesulfonamide (CAS 18735-42-7)
- 6-(2,4-Dimethoxyphenyl)-7-methyl-[1,3]dioxolo[4,5-f]benzofuran (CAS 116310-57-7)
- 1-Chloro-4-iodo-2,3-dimethylbenzene (CAS 2385537-79-9)
- Ytterbium(III) fluoride (CAS 13760-80-0)
- 3-Pentafluoroethyloxy-piperidine-1-carboxylic acid tert-butyl ester (CAS 1206524-00-6)
- (2-Chloro-5-methylphenyl)phosphonic acid (CAS 99513-11-8)
- 5-Pyrimidineethanamine (CAS 856973-36-9)
- 2-Ethyl-7-methyl-5-nitro-1,3-benzoxazole (CAS 1441050-03-8)
- Peptide Impurity 70 TFA Salt (CAS CATO-CPTD788570)
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