2-Chlorobenzyl 4-(3-oxo-3-(2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)propyl)piperazine-1-carboxylate CAS 1144035-22-2
| CAS No. | 1144035-22-2 |
| Molecular Formula | C22H22ClN3O5 |
| Molecular Weight | 443.88 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-Chlorobenzyl 4-(3-oxo-3-(2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)propyl)piperazine-1-carboxylate (CAS 1144035-22-2), molecular formula C22H22ClN3O5 and molecular weight 443.88 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-Chlorobenzyl 4-(3-oxo-3-(2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)propyl)piperazine-1-carboxylate (C22H22ClN3O5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 443.88 g/mol, it falls into the moderately-high-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.
Physical & Chemical Properties
| Molecular Formula | C22H22ClN3O5 |
| Molecular Weight | 443.88 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Chlorobenzyl Standards
- 4-Chlorobenzyl 4-(3-oxo-3-(2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)propyl)piperazine-1-carboxylate (CAS 1144035-02-8)
- 3-Chlorobenzyl 4-(3-oxo-3-(2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)propyl)piperazine-1-carboxylate (CAS 1144035-51-7)
- 3-((4-Chlorobenzyl)sulfinyl)-4-ethyl-5-((3-(trifluoromethyl)phenoxy)methyl)-4H-1,2,4-triazole (CAS 956607-36-6)
- 3-(2-((4-Chlorobenzyl)oxy)phenyl)-1-(3,4-dichlorobenzyl)-1H-pyrazole (CAS 477713-45-4)
- 4,6-Bis((2-chlorobenzyl)thio)cinnoline (CAS 6957-47-7)
- 4,6-Bis((4-chlorobenzyl)thio)cinnoline (CAS 6957-46-6)
- N-(4-chlorobenzyl)-2-((3-oxo-2-(thiophen-2-ylmethyl)isoindolin-1-yl)thio)acetamide (CAS 866008-25-5)
- 2-((2-Chlorobenzyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile (CAS 332175-72-1)
Recommended Standards
- 2-Amino-2-[5-[5-(3-chloro-4-propoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-benzofuranyl]-1,3-propanediol (CAS 1220973-37-4)
- 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-4-phenylpyridine-3-carbonitrile (CAS 860650-51-7)
- N-[(2-Chlorophenyl)methyl]-2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidin-2-yl]acetamide (CAS 1775308-47-8)
- (E)-{[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylidene}({[3-(trifluoromethyl)phenyl]methoxy})amine (CAS 478257-49-7)
- 6,7-Dimethoxy-2-phenyl-4H-chromen-4-one (CAS 26964-27-2)
- 1-(5-Fluoro-2-methylphenyl)pentan-1-amine (CAS 1249241-16-4)
- N-(6-Benzyl-1,6-dihydropyrazolo[3,4-c]pyrazol-3-yl)acetamide (CAS 821004-31-3)
- 1H-pyrazol-1-amine (CAS 3994-46-5)
- 1-(Piperidin-4-ylmethyl)urea (CAS 166816-21-3)
- Cyclohexyl-acetic acid chloromethyl ester (CAS 84674-27-1)
- 2-(3-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine (CAS 927384-43-8)
- 3-Chloro-1,8-naphthyridine (CAS 35170-93-5)
- Methenamine Mandelate (CAS 587-23-5)
- Semaglutide Impurity 186 (CAS CATO-C4X-2226186)
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