(3R)-3-Benzyl-7a-(difluoromethyl)tetrahydropyrrolo[2,1-b]oxa-zol-5(6H)-one CAS 1191936-75-0
| CAS No. | 1191936-75-0 |
| Molecular Formula | C14H15F2NO2 |
| Molecular Weight | 267.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (3R)-3-Benzyl-7a-(difluoromethyl)tetrahydropyrrolo[2,1-b]oxa-zol-5(6H)-one.
(3R)-3-Benzyl-7a-(difluoromethyl)tetrahydropyrrolo[2,1-b]oxa-zol-5(6H)-one (CAS 1191936-75-0) is a high-purity analytical reference standard with the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol.
Structurally, (3R)-3-Benzyl-7a-(difluoromethyl)tetrahydropyrrolo[2,1-b]oxa-zol-5(6H)-one (C14H15F2NO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 267.27 g/mol, it falls into the medium-molecular-weight range. 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 | C14H15F2NO2 |
| Molecular Weight | 267.27 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 1-(2,2-difluoroethyl)-N-(3-methoxybenzyl)-1H-pyrazol-4-amine (CAS 1172821-54-3)
- 2,3-Bis(3-fluorophenyl)pyridine (CAS 1214340-37-0)
- 1-(2,2-difluoroethyl)-N-(4-methoxybenzyl)-1H-pyrazol-4-amine (CAS 1170978-83-2)
- 2,4-Bis(4-fluorophenyl)pyridine (CAS 1214344-93-0)
- (Z)-2-((E)-(methoxyimino)methyl)-3-(4-(trifluoromethyl)phenyl)acrylonitrile (CAS 337919-86-5)
- 31823-19-5 Benzamide, 5-chloro-2-(methylamino)- BRN 0777663 5-Chloro-2-(methylamino)benzamide (CAS 31823-19-5)
- N-(3-(Benzyloxy)-5-(chloromethyl)phenyl)acetamide (CAS 1393577-01-9)
- Ethyl 1H-indene-3-carboxylate (CAS 51056-37-2)
- (S)-1-(tert-Butoxycarbonyl)-2-(2-fluorobenzyl)-pyrrolidine-2-carboxylic acid (CAS 1217635-13-6)
- 5-((2-Bromo-4-(tert-butyl)phenoxy)methyl)-1,3,4-oxadiazol-2-amine (CAS 1706439-66-8)
- 6-(Ethylthio)-1H-indole-2-carboxylic acid (CAS 910443-11-7)
- 2-Chloro-1-{4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl}ethan-1-one hydrochloride (CAS 1049738-89-7)
- (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethylamine (CAS 127733-40-8)
- Peptide 439 (CAS CATO-CPTD788439)
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