Methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-1h-pyrrole-3-carboxylate CAS 877963-98-9
| CAS No. | 877963-98-9 |
| Molecular Formula | C13H18ClNO3 |
| Molecular Weight | 271.74 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-1h-pyrrole-3-carboxylate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies Methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-1h-pyrrole-3-carboxylate (CAS 877963-98-9), a certified reference material (molecular formula C13H18ClNO3, MW 271.74 g/mol) for analytical method development and quality control.
Structurally, Methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-1h-pyrrole-3-carboxylate (C13H18ClNO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 271.74 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures Methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-1h-pyrrole-3-carboxylate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C13H18ClNO3 |
| Molecular Weight | 271.74 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- 5-(Chloroacetyl)-10,11-dihydro-5h-dibenzo[b,f]azepine (CAS 3534-05-2)
- Ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-dimethyl-1h-pyrrole-3-carboxylate (CAS 878218-29-2)
- methyl 4-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]butanoate (CAS 750608-22-1)
- N-(Chloroacetyl)3-amino-4-chlorobenzotrifluoride (CAS 328-26-7)
- n'-(2-Chloroacetyl)-3,4-dimethoxybenzohydrazide (CAS 863668-10-4)
- n'-(2-Chloroacetyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide (CAS 796106-52-0)
- N-((1-(2-Chloroacetyl)piperidin-3-yl)methyl)-N-cyclopropylacetamide (CAS 1353952-46-1)
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Recommended Standards
- Clomipramine Impurity 2 (CAS 25961-11-9)
- N-(4-Chlorobenzyl)-1-methyl-1H-benzo[d]imidazol-2-amine (CAS 578744-26-0)
- 8-Benzyl-4-chloro-2,6-dimethylimidazo[1,5-a]pyrimidine (CAS 88875-09-6)
- N-(4-chlorobenzyl)-1-methyl-1H-benzo[d]imidazol-5-amine (CAS 337925-64-1)
- (5S)-6-[(tert-butoxy)carbonyl]-6-azaspiro[2.5]octane-5-carboxylic acid (CAS 1262396-32-6)
- 1-(2-Chloro-6-methylphenyl)-3-methyl-1H-pyrazol-5(4H)-one (CAS 117-23-7)
- 5-(Cyclohexylamino)-1,3-dimethyl-1h-pyrazole-4-carboxylic acid (CAS 1410459-51-6)
- (S)-2-(4-Methoxyphenyl)piperidine (CAS 503561-02-2)
- Ashaconazole lmpurity 89 (CAS CATO-C4X-123689)
- 2-Amino-6-ethyl-4-(furan-2-yl)-5-methylnicotinonitrile (CAS 409093-17-0)
- Ilaprazole Impurity 29 (CAS CATO-C4X-113029)
- 2-{[(4-bromophenyl)methyl]sulfanyl}-1-phenyl-1H-imidazole (CAS 478046-27-4)
- 2-(1-Boc-4-piperidyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic Acid (CAS 1169564-04-8)
- Pancreatic Polypeptide (31-36), amide, human (CAS 74012-13-8)
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