3-[(1,3-Benzodioxol-5-ylmethyl)amino]-4-methoxycyclobut-3-ene-1,2-dione CAS 1858249-84-9
| CAS No. | 1858249-84-9 |
| Molecular Formula | C13H11NO5 |
| Molecular Weight | 261.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-[(1,3-Benzodioxol-5-ylmethyl)amino]-4-methoxycyclobut-3-ene-1,2-dione is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 3-[(1,3-Benzodioxol-5-ylmethyl)amino]-4-methoxycyclobut-3-ene-1,2-dione (CAS 1858249-84-9), a certified reference material (molecular formula C13H11NO5, MW 261.23 g/mol) for analytical method development and quality control.
Structurally, 3-[(1,3-Benzodioxol-5-ylmethyl)amino]-4-methoxycyclobut-3-ene-1,2-dione (C13H11NO5) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. 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 261.23 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 3-[(1,3-Benzodioxol-5-ylmethyl)amino]-4-methoxycyclobut-3-ene-1,2-dione meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C13H11NO5 |
| Molecular Weight | 261.23 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.) | 1995 |
| Nitrogen Atoms | 1 |
Related Benzodioxol Standards
- 5-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-5-methylimidazolidine-2,4-dione (CAS 1052562-60-3)
- N-[4-(1,3-Benzodioxol-5-yl)-1,3-thiazol-2-yl]guanidine (CAS 886497-71-8)
- 1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol (CAS 1142213-33-9)
- 4-(1,3-benzodioxol-5-yl)-1-methyl-3-propyl-1H-pyrazol-5-amine (CAS 1354960-42-1)
- 1-[(1,3-Benzodioxol-5-ylcarbonyl)oxy]pyrrolidine-2,5-dione (CAS 102132-54-7)
- N-1,3-Benzodioxol-5-yl-2-cyano-3-(dimethylamino)acrylamide (CAS 1786462-99-4)
- 5-[(E)-1,3-Benzodioxol-5-ylmethylidene]-2-(hydroxyamino)-1,3-thiazol-4(5H)-one (CAS 73855-64-8)
- 1338495-24-1 4-(1,3-Benzodioxol-5-ylmethyl)tetrahydro-2H-pyran-4-carboxylic acid (CAS 1338495-24-1)
Recommended Standards
- 1-(3-Methylbenzyl)-3-nitro-1H-pyrazole-4-carboxylic acid (CAS 1856022-08-6)
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- 1H-Pyrazole-3-carboxylic acid, 5-(2-nitrophenyl)-, ethyl ester (CAS 178114-27-7)
- Ethyl 1-(4-nitrophenyl)-1h-pyrazole-3-carboxylate (CAS 19532-38-8)
- 1-Fluoro-4-(isocyanomethyl)benzene (CAS 148890-53-3)
- (3'-Chloro-6-methoxy-[1,1'-biphenyl]-3-yl)methanol (CAS 1160472-69-4)
- 2-Chloro-4-fluorobiphenyl-3-amine (CAS 1226002-02-3)
- 2,2-Difluoro-1-(2-methoxyphenyl)ethanone (CAS 1352225-26-3)
- 3-(Difluoromethyl)-2,4-difluoro-6-iodopyridine (CAS 1804719-32-1)
- 2-(4-nonyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)oxyethanol (CAS 1346600-52-9)
- Tert-butyl 7-oxo-7H-spiro[furo[3,4-b]pyridine-5,4'-piperidine]-1'-carboxylate (CAS 1187829-90-8)
- 3-Isopropyl-5-oxa-2-azaspiro[3.4]Octan-1-one (CAS 1820716-61-7)
- 2-(3,4-Dichlorophenyl)-4H-benzo[d][1,3]oxazin-4-one (CAS 82525-41-5)
- Insulin Degludec Impurity 7 (CAS CATO-C4X-21577)
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