Methyl 4-benzoyl-5-methyl-1,2-oxazole-3-carboxylate CAS 104149-63-5
| CAS No. | 104149-63-5 |
| Molecular Formula | C13H11NO4 |
| Molecular Weight | 245.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 4-benzoyl-5-methyl-1,2-oxazole-3-carboxylate (CAS 104149-63-5), molecular formula C13H11NO4 and molecular weight 245.23 g/mol, is a CATO reference standard with documented purity and traceability.
Methyl 4-benzoyl-5-methyl-1,2-oxazole-3-carboxylate (C13H11NO4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. It is notably hygroscopic, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 | C13H11NO4 |
| Molecular Weight | 245.23 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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.) | 1986 |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- Methyl 5-benzoyl-2-methyloxazole-4-carboxylate (CAS 1956325-56-6)
- Ethyl 2-benzoyl-4-cyanobutanoate (CAS 5415-48-5)
- Methyl 2-benzoyl-2-azabicyclo[2.1.1]Hexane-1-carboxylate (CAS 77422-38-9)
- 4052-92-0 Benzoyl chloride, m-(chlorosulfonyl)- (7CI,8CI) Benzoyl chloride, 3-(chlorosulfonyl)- 3-(Chlorosulphonyl)benzoyl chloride m-(Chlorosulfonyl)benzoyl chloride 3-(Chlorosulfonyl)benzoyl chloride EINECS 223-759-1 (CAS 4052-92-0)
- 50606-96-7 Benzoyl chloride, 4-heptyl- 4-Heptylbenzoyl chloride EINECS 256-648-1 (CAS 50606-96-7)
- 2-Benzoyl-4-chlorobenzaldehyde (CAS 23864-89-3)
- 2-Benzoyl-5-chlorobenzaldehyde (CAS 61077-14-3)
- 2-Benzoyl-5,5-dimethylcyclohexane-1,3-dione (CAS 16690-04-3)
Recommended Standards
- 1-(2,4-Difluorophenyl)-1h-1,3-benzodiazol-2-amine (CAS 1038711-47-5)
- 3-Methoxy-4-((5-methyl-1,2,4-oxadiazol-3-yl)methoxy)benzonitrile (CAS 1042644-25-6)
- 1-(2,6-difluorophenyl)-1H-1,3-benzodiazol-2-amine (CAS 1038303-08-0)
- 3-Methoxy-4-((3-methyl-1,2,4-oxadiazol-5-yl)methoxy)benzonitrile (CAS 1042799-09-6)
- 5-Amino-1-methylindoline (CAS 64180-07-0)
- 1,4-Bis((2-chlorothiazol-5-yl)methyl)piperazine (CAS 882748-01-8)
- tert-butyl (S)-(4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)carbamate (CAS 99197-80-5)
- 1-[4-[(2,2,6,6-tetramethyl-4-piperidyl)amino]phenyl]hexahydropyrimidine-2,4-dione (CAS 201165-79-9)
- (S)-6-Chloronicotine (CAS 112091-17-5)
- tert-Butyl 2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate (CAS 1839098-01-9)
- Benzyl 1,7-diazaspiro[4.4]nonane-1-carboxylate (CAS 1086395-00-7)
- 4-Ethyl-4H-1,2,4-Triazole-3-Thiol (CAS 27105-98-2)
- 2-Methyl-1-oxo-1,2-dihydroisoquinoline-5-carbonitrile (CAS 1374651-91-8)
- Hexapeptide-9 (CAS 1228371-11-6)
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