Tert-butyl 5-fluoro-1-oxa-7-azaspiro[3.5]Nonane-7-carboxylate CAS 2387176-80-7
| CAS No. | 2387176-80-7 |
| Molecular Formula | C12H20FNO3 |
| Molecular Weight | 245.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Tert-butyl 5-fluoro-1-oxa-7-azaspiro[3.5]Nonane-7-carboxylate is closely related to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Tert-butyl 5-fluoro-1-oxa-7-azaspiro[3.5]Nonane-7-carboxylate (CAS 2387176-80-7), molecular formula C12H20FNO3 and molecular weight 245.29 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Tert-butyl 5-fluoro-1-oxa-7-azaspiro[3.5]Nonane-7-carboxylate (C12H20FNO3) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 245.29 g/mol, it falls into the medium-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 | C12H20FNO3 |
| Molecular Weight | 245.29 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1999 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- tert-butyl 3-fluoro-3-(2-methylpropanoyl)azetidine-1-carboxylate (CAS 2209848-11-1)
- Tert-butyl 5-fluoro-5-(hydroxymethyl)-2-azabicyclo[4.1.0]Heptane-2-carboxylate (CAS 2387601-41-2)
- tert-Butyl 3-ethyl-3-fluoro-4-oxopiperidine-1-carboxylate (CAS 2660254-28-2)
- Tert-butyl 5-fluoro-7-oxa-2-azaspiro[3.5]Nonane-2-carboxylate (CAS 2306262-61-1)
- 3-Phenyl-1-(4-(trifluoromethyl)phenyl)propan-1-one (CAS 67082-00-2)
- 5-(Methoxycarbonyl)piperidine-3-carboxylic acid (CAS 748113-39-5)
- 4-((3-Chloroallyl)thio)phenol (CAS 1216365-55-7)
- Dimethyl((3S)-4,4-dimethyl-3-(Boc-amino)-2-oxopentyl)-phosphonate (Q-2145.0250) (CAS 176504-89-5)
- PGF1α-d9 (CAS 1542166-81-3)
- 2-(3,5-Difluoro-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 2377610-72-3)
- (4-Fluoro-2-methylphenyl)(pyridin-2-yl)methanol (CAS 1339194-11-4)
- P-(trimethylsilyl)benzenethiol (CAS 17882-12-1)
- 2-Amino-2-(7-chloro-1H-indol-3-yl)acetic acid (CAS 1270313-61-5)
- Tirzepatide Impurity 43 (CAS CATO-C4X-324043)
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