4-(4-Chlorophenyl)-5,5-dimethyl-2-oxotetrahydrofuran-3-carbonitrile CAS 21863-85-4
| CAS No. | 21863-85-4 |
| Molecular Formula | C40H42N6O6 |
| Molecular Weight | N/A |
| 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.
CATO supplies 4-(4-Chlorophenyl)-5,5-dimethyl-2-oxotetrahydrofuran-3-carbonitrile (CAS 21863-85-4), a certified reference material (molecular formula C40H42N6O6C7H7O3S, MW 874.00 g/mol) for analytical method development and quality control.
Structurally, 4-(4-Chlorophenyl)-5,5-dimethyl-2-oxotetrahydrofuran-3-carbonitrile (C40H42N6O6C7H7O3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 26.5, corresponding to approximately 26 ring(s) or double-bond equivalent(s). With a molecular weight of 874.00 g/mol, it falls into the 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 | C40H42N6O6 2*C7H7O3S |
| Molecular Weight | 874.00 g/mol |
| 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 |
| Degree of Unsaturation (DBE) | 26.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1963 |
| Nitrogen Atoms | 6 |
| Sulfur Atoms | 1 |
Related Chlorophenyl Standards
- 2-(2-Chlorophenyl)-2-(pyrrolidin-1-yl)acetamide (CAS 1000340-02-2)
- N-(2-Chlorophenyl)-5-methyl-1-phenyl-1H-1,2,4-triazole-3-carboxamide (CAS 1000572-01-9)
- N-(2-Chlorophenyl)-5-oxo-1-(p-tolyl)-2,5-dihydro-1H-1,2,4-triazole-3-carboxamide (CAS 1000573-94-3)
- Methyl 1-(2-chlorophenyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazole-3-carboxylate (CAS 1000576-85-1)
- 1-(4-Chlorophenyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazole-3-carboxylic acid phenylamide (CAS 1000577-01-4)
- Benzyl 1-(4-chlorophenyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazole-3-carboxylate (CAS 1000577-09-2)
- 1-(2-Chlorophenyl)-5-oxo-N-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-carboxamide (CAS 1000577-29-6)
- 2-(2-Chlorophenyl)-1-phenylethan-1-amine (CAS 1000615-44-0)
Recommended Standards
- (2-Amino-5-(chloromethyl)-6-(difluoromethyl)pyridin-3-yl)methanol (CAS 1805372-11-5)
- Fexofenadine Hydrochloride (CAS 153439-40-8)
- N1-Benzyl-N2-(5-hydroxy-3-phenylpentyl)oxalamide (CAS 1798672-39-5)
- N-(3-Chloro-2-hydroxyphenyl)acetamide (CAS 29473-23-2)
- (4-Isopropylphenyl)methanesulfonyl chloride (CAS 926201-18-5)
- Ethyl cyclohex-1-ene-1-carboxylate (CAS 1617-22-7)
- Alinidine (CAS 33178-86-8)
- 1-((1-Methoxypropan-2-yl)amino)-2-methylpropan-2-ol (CAS 1184839-81-3)
- 2-((2S,5S)-5-Methyl-3,6-Dioxopiperazin-2-yl)acetic acid (CAS 110954-19-3)
- Semaglutide Impurity 177 (CAS CATO-C4X-2226177)
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