Methyl 4-ethynylbenzo[b]thiophene-2-carboxylate CAS 154629-67-1
| CAS No. | 154629-67-1 |
| Molecular Formula | C12H8O2S |
| Molecular Weight | 216.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of Methyl 4-ethynylbenzo[b]thiophene-2-carboxylate (C12H8O2S) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. 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 presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Methyl 4-ethynylbenzo[b]thiophene-2-carboxylate (CAS 154629-67-1) is a high-purity analytical reference standard with the molecular formula C12H8O2S and a molecular weight of 216.26 g/mol.
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.
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 | C12H8O2S |
| Molecular Weight | 216.26 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2001 |
| Sulfur Atoms | 1 |
Related Methyl Standards
- Ethyl 2-ethynylbenzo[d]thiazole-6-carboxylate (CAS 1220449-29-5)
- (5-Ethynylbenzo[d][1,3]dioxol-4-yl)methanol (CAS 241813-21-8)
- 6-Ethynylbenzo[d][1,3]dioxole-5-carbaldehyde (CAS 151692-56-7)
- 4-Ethynylbenzo[c][1,2,5]thiadiazole (CAS 944245-18-5)
- 5-Ethynylbenzo[d]thiazole (CAS 1158749-23-5)
- 6-Ethynylbenzo[d]thiazole (CAS 864376-04-5)
- 6-Ethynylbenzo[d]oxazol-2(3H)-one (CAS 1207594-32-8)
- 5-Ethynylbenzo[b]thiophene (CAS 1374563-50-4)
Recommended Standards
- 5-(Benzo[b]thiophen-3-yl)isoxazol-3-amine (CAS 1499843-05-8)
- 5-(propan-2-yloxy)pyridine-3-sulfonamide (CAS 1547691-59-7)
- 3-(Thiophen-2-yl)isobenzofuran-1(3H)-one (CAS 147437-99-8)
- (2R,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS 159573-88-3)
- 2,4,6-Trimethoxybenzenethiol (CAS 77189-99-2)
- 2-(4-Ethoxy-2,6-difluorophenyl)acetonitrile (CAS 1017779-53-1)
- 1-(3,4-DIFLUOROPHENYL)ETHAN-1-ONE 1-(3,4-DIFLUOROPHENYL)ETHANONE 1-ACETYL-3,4-DIFLUOROBENZENE 3',4'-DIFLUOROACETOPHENONE 3,4-DIFLUOROACETOPHENONE 369-33-5 ETHANONE, 1-(3,4-DIFLUOROPHENYL)- NF10202 (CAS 369-33-5)
- [1,1'-Biphenyl]-4-yl(4-nitrophenyl)methanone (CAS 6317-76-6)
- Tert-butyl 3-amino-3-phenylpropanoate hydrochloride (CAS 422324-40-1)
- (S)-1-(2-ethoxyphenyl)ethan-1-amine (CAS 1552288-94-4)
- (2-Bromo-2-phenylethyl)benzene (CAS 16766-97-5)
- 4-Nitro-2-(trifluoromethyl)pyridine (CAS 951627-69-3)
- N-Nitroso Mirabegron d5 (CAS CATO-C4X-1032131)
- Semaglutide Impurity 138 (CAS CATO-C4X-2226138)
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