Prop-2-yn-1-yl N-{1-[(2,6-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}carbamate CAS 400084-78-8
| CAS No. | 400084-78-8 |
| Molecular Formula | C16H12Cl2N2O3 |
| Molecular Weight | 351.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Prop-2-yn-1-yl N-{1-[(2,6-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}carbamate 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.
Prop-2-yn-1-yl N-{1-[(2,6-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}carbamate (CAS 400084-78-8), molecular formula C16H12Cl2N2O3 and molecular weight 351.18 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C16H12Cl2N2O3, Prop-2-yn-1-yl N-{1-[(2,6-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}carbamate contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 351.18 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C16H12Cl2N2O3 |
| Molecular Weight | 351.18 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related Prop Standards
- Prop-2-yn-1-yl (1-(2,6-dichlorobenzyl)-6-oxo-1,6-dihydropyridin-3-yl)carbamate (CAS 338784-67-1)
- Prop-2-yn-1-yl (1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (CAS 338755-62-7)
- 5-(4-(4-(Prop-2-yn-1-yloxy)benzoyl)phenoxy)pentanoic acid (CAS 2140866-79-9)
- 4-Ethyl-3-(prop-2-en-1-ylsulfanyl)-5-{thieno[2,3-b]quinolin-2-yl}-4H-1,2,4-triazole (CAS 439112-36-4)
- prop-2-ynyl N-[2-(2,6-dioxo-3-piperidyl)-1,3-dioxo-isoindolin-4-yl]carbamate (CAS 2408797-69-1)
- Di(prop-2-yn-1-yl) 4,4'-(diazene-1,2-diyl)bis(4-cyanopentanoate) (CAS 1029945-77-4)
- Prop-2-yn-1-yl 4-(benzyloxy)-3-bromobenzoate (CAS 1706453-28-2)
- Prop-2-yn-1-yl 4-(benzyloxy)-3-chloro-5-ethoxybenzoate (CAS 1706452-35-8)
Recommended Standards
- Isavuconazole Impurity 52 (CAS CATO-C4X-123652)
- 7-Bromo-2-(naphthalen-1-yl)-4H-chromen-4-one (CAS 1063978-38-0)
- N-benzyl-4-iodo-N-methylbenzamide (CAS 714258-77-2)
- (5-Bromo-2-methoxyphenyl)(3,5-dimethoxyphenyl)methanone (CAS 1094749-23-1)
- 5-Methyl-6-nitro-2,3-dihydro-1h-indole hydrochloride (CAS 1432680-56-2)
- 7-Chloro-5-nitro-1H-indole-2-carboxylic acid (CAS 1391602-03-1)
- (S)-2-Aminopropanenitrile (CAS 95596-57-9)
- 2-Hydroxy-4-(3-phenylpropyl)isoquinoline-1,3(2H,4H)-dione (CAS 1269515-04-9)
- {[2-(Benzyloxy)phenyl]methyl}(butan-2-yl)amine (CAS 861408-24-4)
- (1S,2R,4S,5R)-1-([1,1':3',1''-Terphenyl]-5'-ylmethyl)-2-((S)-hydroxy(2-(4-(trifluoromethyl)phenyl)quinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide (CAS 2451653-99-7)
- Annamycin (CAS 92689-49-1)
- 5-Bromo-2-isobutoxy-pyridin-3-ylamine (CAS 1249378-82-2)
- 6-Amino-5-((2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one (CAS 39030-19-8)
- Semaglutide impurity 81 (CAS CATO-C4X-222681)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com