Methyl 2-(2-chloroacetamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate CAS 448226-78-6
| CAS No. | 448226-78-6 |
| Molecular Formula | C13H16ClNO3S |
| Molecular Weight | 301.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Methyl 2-(2-chloroacetamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 448226-78-6) is a high-purity analytical reference standard with the molecular formula C13H16ClNO3S and a molecular weight of 301.79 g/mol.
The molecular framework of Methyl 2-(2-chloroacetamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (C13H16ClNO3S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C13H16ClNO3S |
| Molecular Weight | 301.79 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Methyl Standards
- Ethyl 2-(2-chloroacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 60442-41-3)
- Methyl 2-(2-chloroacetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate (CAS 438029-03-9)
- 3-(2-chloroacetamido)-4-methyl-N-phenylbenzamide (CAS 1803609-27-9)
- 2-(2-Chloroacetamido)-n-(3-methylphenyl)benzamide (CAS 22312-75-0)
- Ethyl 2-(2-chloroacetamido)-4-(2-methylpropyl)thiophene-3-carboxylate (CAS 554423-83-5)
- 1-(Chloroacetamido)anthraquinone (CAS 20149-91-1)
- 3-(2-Chloroacetamido)-4-methoxybenzene-1-sulfonyl chloride (CAS 728864-70-8)
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Recommended Standards
- Methyl 2-(2-chloropropanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 731012-07-0)
- N-benzyl-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide (CAS 453576-43-7)
- 5-Benzyl-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 451501-91-0)
- n-Benzyl-3-chlorobenzo[b]thiophene-2-carboxamide (CAS 62524-16-7)
- Diethyl 2-(((6-aminopyridin-2-yl)amino)methylene)malonate (CAS 33007-33-9)
- 6-chloro-N-(4-methylbenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CAS 866142-52-1)
- Ethyl 2-oxo-1,2-dihydropyridine-3-carboximidoate hydrochloride (CAS 1417348-75-4)
- 2-(3-(((Tert-butoxycarbonyl)amino)methyl)thietan-3-yl)acetic acid (CAS 1823267-71-5)
- 2-Ethynyl-5-methoxyphenol (CAS 1057669-95-0)
- (E)-[1-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)ethylidene]amino N-phenylcarbamate (CAS 477858-11-0)
- 4-((Dimethylamino)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one (CAS 339020-88-1)
- 5-(Piperidin-4-yl)oxazole-4-carboxylic acid hydrochloride (CAS 1874188-41-6)
- Ethyl 5-(4-hydroxyphenyl)pentanoate (CAS 154044-13-0)
- Hexapeptide-1 (CAS CATO-CPTD788821)
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