Cas no 122417-23-6 (Methyl 4-(thiophen-3-yl)butanoate)
Methyl 4-(thiophen-3-yl)butanoate Chemical and Physical Properties
Names and Identifiers
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- Methyl 4-(thiophen-3-yl)butanoate
- methyl 4-thiophen-3-ylbutanoate
- DTXSID40742538
- 122417-23-6
- Methyl4-(thiophen-3-yl)butanoate
- SCHEMBL19824761
- 3-Thiophenebutanoic acid, methyl ester
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- Inchi: 1S/C9H12O2S/c1-11-9(10)4-2-3-8-5-6-12-7-8/h5-7H,2-4H2,1H3
- InChI Key: OVGQHSQVDXREMA-UHFFFAOYSA-N
- SMILES: S1C=CC(=C1)CCCC(=O)OC
Computed Properties
- Exact Mass: 184.05580079g/mol
- Monoisotopic Mass: 184.05580079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 148
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 54.5?2
Methyl 4-(thiophen-3-yl)butanoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM199814-1g |
methyl 4-(thiophen-3-yl)butanoate |
122417-23-6 | 95% | 1g |
$380 | 2021-08-05 | |
| Chemenu | CM199814-1g |
methyl 4-(thiophen-3-yl)butanoate |
122417-23-6 | 95% | 1g |
$380 | 2023-01-19 | |
| Alichem | A169003655-1g |
Methyl 4-(thiophen-3-yl)butanoate |
122417-23-6 | 95% | 1g |
$324.72 | 2023-09-03 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1762458-1g |
Methyl 4-(thiophen-3-yl)butanoate |
122417-23-6 | 98% | 1g |
¥2696.00 | 2024-08-09 |
Methyl 4-(thiophen-3-yl)butanoate Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
Additional information on Methyl 4-(thiophen-3-yl)butanoate
Comprehensive Overview of Methyl 4-(thiophen-3-yl)butanoate (CAS No. 122417-23-6): Properties, Applications, and Industry Insights
Methyl 4-(thiophen-3-yl)butanoate (CAS No. 122417-23-6) is an organic compound featuring a thiophene ring linked to a butanoate ester group. This structure grants it unique chemical properties, making it valuable in pharmaceutical intermediates, fragrance synthesis, and material science. The thiophene moiety enhances its reactivity, while the ester group improves solubility, aligning with modern demands for versatile building blocks in green chemistry.
In recent years, the compound has gained attention due to the rising interest in heterocyclic chemistry and sustainable synthesis methods. Researchers frequently search for "thiophene derivatives applications" or "esterification optimization techniques," reflecting its relevance in drug discovery and industrial processes. Its CAS No. 122417-23-6 is often queried in chemical databases for purity verification and regulatory compliance.
The synthesis of Methyl 4-(thiophen-3-yl)butanoate typically involves catalytic esterification or cross-coupling reactions, topics trending in "catalytic organic synthesis 2024" discussions. Its role as a precursor for bioactive molecules connects it to hot topics like "AI-driven drug design" and "high-throughput screening," where efficient intermediates are critical.
From an industrial perspective, this compound aligns with the shift toward bio-based solvents and low-toxicity additives. Manufacturers prioritize "sustainable chemical alternatives"—a keyword cluster where 122417-23-6 appears in R&D reports. Its stability under mild conditions also makes it suitable for "flow chemistry systems," a growing field in process optimization.
Analytical studies highlight its spectroscopic fingerprints (e.g., NMR, IR), often searched as "thiophene ester characterization." Regulatory-wise, it falls under general safety protocols, avoiding classifications that restrict its use. This flexibility boosts its adoption in flavor & fragrance formulations, where "non-GRAS ingredient innovation" is a key trend.
In summary, Methyl 4-(thiophen-3-yl)butanoate exemplifies the intersection of traditional organic chemistry and contemporary industrial needs. Its CAS No. 122417-23-6 serves as a gateway for researchers exploring "structure-activity relationships" or "green chemistry metrics," ensuring its continued relevance in scientific and commercial landscapes.
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