Butyl 4-(6-bromobenzo[d][1,3]dioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate CAS 300690-15-7
| CAS No. | 300690-15-7 |
| Molecular Formula | C17H19BrN2O5 |
| Molecular Weight | 411.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 411.25 g/mol gives Butyl 4-(6-bromobenzo[d][1,3]dioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies Butyl 4-(6-bromobenzo[d][1,3]dioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 300690-15-7), a certified reference material (molecular formula C17H19BrN2O5, MW 411.25 g/mol) for analytical method development and quality control.
Structurally, Butyl 4-(6-bromobenzo[d][1,3]dioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (C17H19BrN2O5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 411.25 g/mol, it falls into the moderately-high-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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C17H19BrN2O5 |
| Molecular Weight | 411.25 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
Related Butyl Standards
- N-(4-Bromobenzo[d]thiazol-2-yl)-2-((4-methoxyphenyl)thio)acetamide (CAS 941901-52-6)
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- 1-((6-Bromobenzo[d][1,3]dioxol-5-yl)methyl)-7-methoxyisoquinolin-8-ol (CAS 86817-57-4)
- 3-(6-Bromobenzo[d]thiazol-2-yl)-2-phenylquinazolin-4(3H)-one (CAS 918154-67-3)
- N-(4-Bromobenzo[d]thiazol-2-yl)-2-(methylthio)benzamide (CAS 896353-83-6)
- N-(4-Bromobenzo[d]thiazol-2-yl)-4-(methylthio)benzamide (CAS 896359-66-3)
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- Methyl 4-(((5-bromobenzo[d]thiazol-2-yl)amino)methyl)benzoate (CAS 503039-96-1)
Recommended Standards
- 5-Bromo-3-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)indolin-2-one (CAS 300567-61-7)
- N-(4-bromophenyl)-N-(3-nitrobenzyl)benzamide (CAS 332163-53-8)
- 4-Bromo-N-(4-nitrobenzyl)-N-phenylbenzamide (CAS 444152-43-6)
- 2,4-Dichloro-5-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic acid (CAS 749219-09-8)
- 11,11'-Disulfanediyldiundecanoic acid (CAS 23483-56-9)
- Ethyl 3-amino-4,4-difluorobutanoate (CAS 81982-55-0)
- 1-((4-Chlorophenyl)sulfonyl)piperidin-3-amine hydrochloride (CAS 1827467-55-9)
- 1-Chloro-1,1-difluoro-3-phenylpropan-2-one (CAS 86340-72-9)
- 3-(2,5-dimethyl-3-thienyl)acrylamide (CAS 257946-39-7)
- Benzeneacetic acid, alpha-ethyl-2,5-dimethyl- (CAS 1082544-07-7)
- 4-Bromo-N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)but-2-enamide (CAS 361162-96-1)
- 2-(4-Fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one (CAS 667881-38-1)
- 2-Fluoro-[1,1'-biphenyl]-4-yl 2,3-dichlorobenzoate (CAS 477857-47-9)
- (D-Tyr1,N-Me-Phe3)-Neuropeptide FF (H-4752.0001) (CAS 145274-93-7)
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