3-(3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid CAS 876294-64-3
| CAS No. | 876294-64-3 |
| Molecular Formula | C16H17NO4 |
| Molecular Weight | 287.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 876294-64-3) is a high-purity analytical reference standard with the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol.
Structurally, 3-(3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (C16H17NO4) contains a flavonoid core, 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 287.31 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-(3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid 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 | 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.) | 1987 |
| Nitrogen Atoms | 1 |
Related Ethoxycarbonyl Standards
- 2-({[1-(ethoxycarbonyl)piperidin-4-yl]carbamoyl}(methyl)amino)acetic acid (CAS 1096963-05-1)
- 1-(Ethoxycarbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid (CAS 352549-26-9)
- 2-(3-(Ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl)acetic acid (CAS 679797-47-8)
- 4-(3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 500728-32-5)
- 4-(Ethoxycarbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid (CAS 935279-95-1)
- 8-(Ethoxycarbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (CAS 353484-61-4)
- 2-[4-(ethoxycarbonyl)benzenesulfonamido]acetic acid (CAS 757192-76-0)
- 4-((4-(Ethoxycarbonyl)pyridin-2-yl)oxy)benzoic acid (CAS 1415719-43-5)
Recommended Standards
- 3-(2-Fluorobenzyl)-2H-benzo[e][1,3]thiazine-2,4(3H)-dione (CAS 338415-41-1)
- 3-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3-oxopropanenitrile (CAS 546116-57-8)
- 3-(2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indole-2-carboxamido)propanoic acid (CAS 951952-39-9)
- 3-(5-Methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid (CAS 345951-38-4)
- 4-(Methylamino)-1-butanol (CAS 42042-68-2)
- (2S,4S)-1-(tert-Butoxycarbonyl)-4-(2,4,6-trifluorophenoxy)-2-pyrrolidinecarboxylic acid (CAS 869682-14-4)
- 4-(3-Bromo-phenyl)-thiomorpholine 1,1-dioxide (CAS 1380487-26-2)
- 2-((4-Methyl-2-oxo-2h-chromen-7-yl)oxy)acetamide (CAS 181482-48-4)
- 2-Amino-3-ethylheptanoic acid (CAS 102450-66-8)
- 16-Iodo-2,5,8,11,14-pentaoxahexadecane (CAS 104518-24-3)
- 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid (CAS 37409-33-9)
- 1-(6-(2H-1,2,3-Triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl)-3-(7-(cyclopropyl(dimethylamino)methyl)-2-methylthiazolo[5,4-b]pyridin-6-yl)urea (CAS 2178991-05-2)
- 5-ethyl-1-methyl-1H-indole-2,3-dione (CAS 852399-54-3)
- Biotinyl-Glucagon (1-29) (human, rat, porcine) trifluoroacetate salt (CAS 1802086-28-7)
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