N-(6-tert-Butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-chloropropanamide CAS 1365963-84-3
| CAS No. | 1365963-84-3 |
| Molecular Formula | C16H21ClN2OS |
| Molecular Weight | 324.87 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including N-(6-tert-Butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-chloropropanamide.
N-(6-tert-Butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-chloropropanamide (CAS 1365963-84-3), molecular formula C16H21ClN2OS and molecular weight 324.87 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N-(6-tert-Butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-chloropropanamide (C16H21ClN2OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 324.87 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), N-(6-tert-Butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-chloropropanamide 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 | C16H21ClN2OS |
| Molecular Weight | 324.87 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Recommended Standards
- Desloratadine Impurity 48 (CAS 119770-61-5)
- 2-Chloro-N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]acetamide 4799AE 519016-57-0 C16H21ClN2OS (CAS 519016-57-0)
- Desloratadine Impurity 35 (CAS 38092-88-5)
- 551924-38-0 N-(6-tert-Butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-chloropropanamide MFCD01357700 (CAS 551924-38-0)
- 3-Methylene-1-(4-(trifluoromethyl)pyridin-2-yl)cyclobutane-1-carbonitrile (CAS 2040300-47-6)
- 2-(4-Ethoxyphenyl)thiazole-5-carboxylic acid (CAS 886370-17-8)
- 1-(4-Methoxyphenyl)cyclopropanamine (CAS 72934-40-8)
- 1-((2-([1,1'-Biphenyl]-4-yl)imidazo[1,2-a]pyridin-3-yl)methyl)piperidine-4-carboxylic acid (CAS 881040-45-5)
- 6-Fluoronaphthalene-1-carboxylic acid, 97% (CAS 575-08-6)
- Isopropyl 6-hydroxy-5-nitronicotinate (CAS CATO-C3D-263212)
- 2-Iodo-3-(trifluoromethyl)benzyl bromide (CAS 1261457-02-6)
- 5,5-Dinitro-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 269077-45-4)
- 1,2,3,4-Tetrahydro-1,4a,9-triaza-anthracen-10-one (CAS 19801-37-7)
- Acetyl Tetrapeptide-5 (CAS 820959-17-9)
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