4-(2-Chloro-5-nitrobenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid CAS 1326811-31-7
| CAS No. | 1326811-31-7 |
| Molecular Formula | C16H18ClN3O6 |
| Molecular Weight | 383.78 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(2-Chloro-5-nitrobenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 4-(2-Chloro-5-nitrobenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CAS 1326811-31-7), a certified reference material (molecular formula C16H18ClN3O6, MW 383.78 g/mol) for analytical method development and quality control.
The molecular framework of 4-(2-Chloro-5-nitrobenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (C16H18ClN3O6) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. 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.
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 | C16H18ClN3O6 |
| Molecular Weight | 383.78 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Chloro Standards
- 4-(4-Chloro-3-nitrobenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CAS 1326808-65-4)
- 7-(1-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)ethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CAS 303151-82-8)
- 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(2-methoxyethyl)-1H-pyrrole-2-sulfonamide (CAS 321433-69-6)
- 7-Chloro-2-(4-methoxy-2-methylphenyl)-2,3-dihydropyridazino[4,5-b]quinoline-1,4,10(5H)-trione (CAS 170142-20-8)
- 2-chloro-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]acetamide (CAS 303010-43-7)
- 4-{[(E)-2-[3-(2-chloro-6-fluorophenyl)-4-cyano-1,2-oxazol-5-yl]ethenyl]amino}benzoic acid (CAS 338403-15-9)
- 1-(4-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)phenyl)ethan-1-one (CAS 338979-19-4)
- 2-Chloro-4-formyl-6-methoxyphenyl 4-acetamidobenzenesulfonate (CAS 432002-40-9)
Recommended Standards
- (E/Z)-methyl 4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-N-nitropiperazine-1-carbimidothioate (CAS 1823194-80-4)
- N4-[3-methoxy-5-(trifluoromethyl)phenyl]-5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonamide (CAS 648408-34-8)
- (3-Nitro-4-phenoxyphenyl)methyl 4-chlorobenzoate (CAS 338960-90-0)
- 4-((4-Chlorophenyl)thio)-8-(trifluoromethyl)quinoline-3-carboxylic acid (CAS 860609-91-2)
- methyl 3-hydroxy-1-propanoylcyclobutane-1-carboxylate (CAS 1505671-54-4)
- 4-Chloro-5-cyclopropoxypicolinic acid (CAS 1243349-98-5)
- 56764-71-7 1-[2-(Methylsulfanyl)ethyl]piperazine DTXSID60522677 (CAS 56764-71-7)
- 4-(5-Chlorothiazolo[5,4-d]pyrimidin-7-yl)morpholine (CAS 41975-14-8)
- 7-Benzyloxy-benzo[1,3]dioxole-5-carbaldehyde (CAS 221177-68-0)
- 1-(tert-Butyl)-4-ethyl-1H-imidazole (CAS 586964-65-0)
- Ethyl 3-(3-fluoro-4-methoxyphenyl)-3-oxopropanoate (CAS 195708-39-5)
- ErlotiniB impurity 36 (CAS CATO-C4X-106936)
- Benzyl (2R,3S)-3-amino-2-methylpiperidine-1-carboxylate (CAS 1932572-89-8)
- Semaglutide impurity 75 (CAS CATO-C4X-222675)
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