3-(5-Methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid CAS 345951-38-4
| CAS No. | 345951-38-4 |
| Molecular Formula | C16H17NO4 |
| Molecular Weight | 287.31 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 3-(5-Methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid.
3-(5-Methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid (CAS 345951-38-4), molecular formula C16H17NO4 and molecular weight 287.31 g/mol, is a CATO reference standard with documented purity and traceability.
3-(5-Methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid (C16H17NO4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage. 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.
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 | C16H17NO4 |
| Molecular Weight | 287.31 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 |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- 3-(1,3-Dioxooctahydro-2H-isoindol-2-yl)-4-methylbenzoic acid (CAS 895766-35-5)
- 345288-36-0 4-(5-Methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid MFCD02026641 (CAS 345288-36-0)
- 2-(1,3-Dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid (CAS 353524-19-3)
- 2-(1,3-Dioxooctahydro-4,6-ethenocyclopropa-[f]isoindol-2(1H)-yl)-3-methylbutanoic acid (CAS 436811-19-7)
- 4-(1,3-Dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid (CAS 354158-53-5)
- 4-(1,3-Dioxooctahydro-2H-isoindol-2-yl)benzoic acid (CAS 101325-82-0)
- 2-(1,3-Dioxooctahydro-2h-isoindol-2-yl)benzoic acid (CAS 160694-90-6)
- 3-(1,3-Dioxooctahydro-2h-isoindol-2-yl)benzoic acid (CAS 313259-33-5)
Recommended Standards
- 3-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3-oxopropanenitrile (CAS 546116-57-8)
- 3-(Tert-butyl)-8b-hydroxy-4-oxo-4,8b-dihydroindeno[1,2-c]pyrazole-1(3aH)-carboxamide (CAS 87206-99-3)
- 3-(3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 876294-64-3)
- 3,4,5-Trimethoxy-N-phenylbenzamide (CAS 3940-75-8)
- 1-Methyl-3-(1-methylpiperidin-4-yl)-1H-indol-5-ol 445441-74-7 6149AB C15H20N2O (CAS 445441-74-7)
- (R)-3-(2-Isobutylpiperazin-1-yl)propanoic acid (CAS 1240582-18-6)
- 6921-28-4 TST5UMI4J4 Dipropargylamine Di-2-propynylamine 2-Propyn-1-amine, N-2-propynyl- (9CI) 4-04-00-01137 (Beilstein Handbook Reference) BRN 1735854 EINECS 230-036-4 NSC 80652 N-2-Propynyl-2-propyn-1-amine UNII-TST5UMI4J4 (CAS 6921-28-4)
- Methyl 5-iodo-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylate (CAS 1638763-33-3)
- 1-(Pyrimidin-4-yl)pyrrolidin-3-amine (CAS 1247746-70-8)
- 6-Nitro-3H-indole (CAS 791032-94-5)
- tert-Butyl 5'-oxo-8-azaspiro[bicyclo[3.2.1]octane-3,3'-pyrrolidine]-8-carboxylate (CAS 1263279-47-5)
- 1-(Pyridin-3-yl)piperidine-2-carboxylic acid (CAS 1822570-85-3)
- 1H,2H,3H,4H,6H-pyrido[1,2-a]pyrimidin-6-one (CAS 1000981-74-7)
- Neuropeptide Y (3-36) (porcine) trifluoroacetate salt (CAS 143863-88-1)
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