2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 4-((2-oxopyrrolidin-1-yl)methyl)benzoate CAS 871672-87-6
| CAS No. | 871672-87-6 |
| Molecular Formula | C20H25N3O4 |
| Molecular Weight | 371.43 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 4-((2-oxopyrrolidin-1-yl)methyl)benzoate (CAS 871672-87-6), molecular formula C20H25N3O4 and molecular weight 371.43 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, 2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 4-((2-oxopyrrolidin-1-yl)methyl)benzoate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 371.43 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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), 2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 4-((2-oxopyrrolidin-1-yl)methyl)benzoate 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 | C20H25N3O4 |
| Molecular Weight | 371.43 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 DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 3 |
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Recommended Standards
- 2-((2-(2-(Benzo[d]thiazol-2-ylthio)acetyl)hydrazono)methyl)benzoic acid (CAS 294197-48-1)
- 2-((4-Amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-dimethylphenyl)acetamide (CAS 763114-90-5)
- 1-Benzyl-4-[4-(benzyloxy)phenyl]-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 860789-01-1)
- 2-((4-Ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide (CAS 578005-94-4)
- N,N-Diethylnicotinamide (CAS 59-26-7)
- 2-(2-(((3-(tert-Butoxy)-3-oxopropyl)amino)methyl)pyrrolidin-1-yl)acetic acid (CAS 1353973-15-5)
- 4-Bromo-1-ethyl-1h-pyrrole-2-carboxylic acid (CAS 1235438-94-4)
- 4-Butylcyclohexan-1-amine (CAS 37942-69-1)
- Ethyl 2-(cyclopentanecarbonyl)butanoate (CAS 1248020-15-6)
- tert-Butyl 2-amino-2-cyanoacetate (CAS 68970-51-4)
- 5,6-Diethyl-3-oxo-2,3-dihydropyridazine-4-carbothioamide (CAS 1394042-01-3)
- Methyl 4-((4-(tert-butyl)benzyl)oxy)-3,5-dichlorobenzoate (CAS 866153-31-3)
- 4-[16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]benzenecarboxylic acid (CAS 313653-92-8)
- Peptide Impurity 28 (CAS 1350456-64-2)
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