8-Propyl-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid CAS 1326811-12-4
| CAS No. | 1326811-12-4 |
| Molecular Formula | C19H23F3N2O4 |
| Molecular Weight | 400.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 400.39 g/mol gives 8-Propyl-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
8-Propyl-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CAS 1326811-12-4), molecular formula C19H23F3N2O4 and molecular weight 400.39 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 8-Propyl-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (C19H23F3N2O4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 400.39 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C19H23F3N2O4 |
| Molecular Weight | 400.39 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Propyl Standards
- 8-Propyl-4-[3-(trifluoromethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CAS 1326811-02-2)
- 5-(Trifluoromethyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyridine-2-carbonitrile (CAS 338791-63-2)
- (1-(3,5-Bis(trifluoromethyl)phenyl)-5-methyl-1H-1,2,3-triazol-4-yl)(pyridin-4-yl)methanone (CAS 477847-94-2)
- 3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-5-benzofuranyl)-1,2,4-oxadiazole (CAS 685505-07-1)
- 3,5-Bis(trifluoromethyl)-1-(heptafluorobutyryl)pyrazole (CAS 244022-65-9)
- 2-[2-(Trifluoromethyl)-1H-1,3-benzodiazol-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide (CAS 478080-07-8)
- 3-Methyl-4-[3-(trifluoromethyl)phenyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 861206-74-8)
- 3-Phenyl-6-(trifluoromethyl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,4-triazine (CAS 478048-10-1)
Recommended Standards
- 2-Amino-1-methyl-6-phenylimidazo[4,5-β]pyridine N-β-D-Glucuronide (CAS 133084-70-5)
- 2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazole (CAS 1269646-23-2)
- 2-Amino-5-(4-nitrophenyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazol-4-one (CAS 1354918-86-7)
- 3-(1-Methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-1H-pyrrole-2,5-dione (CAS 125313-92-0)
- Hexahydrocyclopenta[c]pyrrol-4(1H)-one hydrochloride (CAS 127430-46-0)
- 2,5,8,11-Tetraoxapentadecan-15-al (CAS 848601-27-4)
- Ethyl 6-amino-2-naphthoate (CAS 160557-37-9)
- (1E,4E,6E)-1-(dimethylamino)-7-phenylhepta-1,4,6-trien-3-one (CAS 647825-33-0)
- 2-Phenylpropionic anhydride (CAS 57780-74-2)
- Bortezomib Impurity 33 (CAS 73058-37-4)
- (4-Bromo-3-chloro-2-methylphenyl)methanol (CAS 1809168-73-7)
- 3-(3H-imidazo[4,5-b]pyridin-2-yl)propanoic acid (CAS 123494-73-5)
- 2-Bromo-6-(2-fluorophenyl)pyridine (CAS 1142196-95-9)
- Myelin Basic Protein (85-99) Peptide Antagonist (CAS 444305-16-2)
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