Cas no 39712-64-6 (4-(3-methyl-2-thienyl)-4-oxo-butanoic acid)
4-(3-methyl-2-thienyl)-4-oxo-butanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-(3-methyl-2-thienyl)-4-oxo-butanoic acid
- LogP
- 4-(3-Methyl-2-thienyl)-4-oxobutyric acid
- 4-(3-methylthiophen-2-yl)-4-oxobutanoic acid
- SCHEMBL6915936
- 39712-64-6
- MFCD09801793
- 4-(3-METHYL-2-THIENYL)-4-OXOBUTYRICACID
- AKOS010867920
- DTXSID90645489
-
- MDL: MFCD09801793
- Inchi: 1S/C9H10O3S/c1-6-4-5-13-9(6)7(10)2-3-8(11)12/h4-5H,2-3H2,1H3,(H,11,12)
- InChI Key: LARYRVRPSBOGGZ-UHFFFAOYSA-N
- SMILES: S1C=CC(C)=C1C(CCC(=O)O)=O
Computed Properties
- Exact Mass: 198.0351
- Monoisotopic Mass: 198.03506535g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 215
- 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: 1.4
- Topological Polar Surface Area: 82.6?2
Experimental Properties
- PSA: 54.37
4-(3-methyl-2-thienyl)-4-oxo-butanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 207524-2g |
4-(3-Methyl-2-thienyl)-4-oxobutyric acid |
39712-64-6 | 97% | 2g |
£613.00 | 2022-02-28 | |
| Fluorochem | 207524-5g |
4-(3-Methyl-2-thienyl)-4-oxobutyric acid |
39712-64-6 | 97% | 5g |
£1447.00 | 2022-02-28 | |
| Fluorochem | 207524-1g |
4-(3-Methyl-2-thienyl)-4-oxobutyric acid |
39712-64-6 | 97% | 1g |
£352.00 | 2022-02-28 | |
| A2B Chem LLC | AD36577-1g |
4-(3-Methyl-2-thienyl)-4-oxobutyric acid |
39712-64-6 | 97% | 1g |
$435.00 | 2024-04-20 | |
| A2B Chem LLC | AD36577-2g |
4-(3-Methyl-2-thienyl)-4-oxobutyric acid |
39712-64-6 | 97% | 2g |
$725.00 | 2024-04-20 | |
| A2B Chem LLC | AD36577-5g |
4-(3-Methyl-2-thienyl)-4-oxobutyric acid |
39712-64-6 | 97% | 5g |
$1650.00 | 2024-04-20 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1783382-1g |
4-(3-Methyl-2-thienyl)-4-oxobutyric acid |
39712-64-6 | 98% | 1g |
¥10971.00 | 2024-05-15 | |
| abcr | AB367521-1 g |
4-(3-Methyl-2-thienyl)-4-oxobutyric acid, 97%; . |
39712-64-6 | 97% | 1g |
€633.40 | 2023-04-26 | |
| abcr | AB367521-2 g |
4-(3-Methyl-2-thienyl)-4-oxobutyric acid, 97%; . |
39712-64-6 | 97% | 2g |
€1047.40 | 2023-04-26 | |
| abcr | AB367521-1g |
4-(3-Methyl-2-thienyl)-4-oxobutyric acid, 97%; . |
39712-64-6 | 97% | 1g |
€632.80 | 2025-03-19 |
4-(3-methyl-2-thienyl)-4-oxo-butanoic acid Related Literature
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
Additional information on 4-(3-methyl-2-thienyl)-4-oxo-butanoic acid
Comprehensive Guide to 4-(3-methyl-2-thienyl)-4-oxo-butanoic acid (CAS No. 39712-64-6): Properties, Applications, and Market Insights
4-(3-methyl-2-thienyl)-4-oxo-butanoic acid (CAS No. 39712-64-6) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This compound, characterized by its unique thiophene ring structure and carboxylic acid functionality, serves as a versatile intermediate in synthetic chemistry. Its molecular formula, C9H10O3S, reflects a balance of reactivity and stability, making it valuable for diverse applications.
The growing interest in heterocyclic compounds like 4-(3-methyl-2-thienyl)-4-oxo-butanoic acid is driven by their role in drug discovery. Researchers frequently search for "thiophene derivatives in medicine" or "CAS 39712-64-6 applications," highlighting its relevance in developing anti-inflammatory agents and central nervous system (CNS) drugs. The compound’s keto-acid moiety enables facile derivatization, aligning with trends in structure-activity relationship (SAR) studies.
From a synthetic perspective, 4-(3-methyl-2-thienyl)-4-oxo-butanoic acid is synthesized via Friedel-Crafts acylation of 3-methylthiophene, followed by oxidation. Its melting point (~120–125°C) and solubility in polar solvents like ethanol or DMSO are critical for laboratory handling. These properties are often queried as "39712-64-6 solubility" or "thermal stability of thienyl keto acids," reflecting practical user concerns.
In industrial contexts, this compound is pivotal for producing high-value fine chemicals. Market reports indicate rising demand for thiophene-based intermediates, with applications spanning agrochemicals, material science, and flavor/fragrance synthesis. SEO-optimized queries such as "buy 4-(3-methyl-2-thienyl)-4-oxo-butanoic acid" or "suppliers of CAS 39712-64-6" underscore its commercial significance.
Environmental and regulatory aspects of 4-(3-methyl-2-thienyl)-4-oxo-butanoic acid are also trending topics. While not classified as hazardous, its handling requires standard laboratory safety protocols. Users often seek "CAS 39712-64-6 SDS" or "biodegradability of thiophene derivatives," emphasizing the need for sustainable chemistry practices.
Future research directions for 39712-64-6 include exploring its potential in catalysis and polymeric materials. Innovations in green chemistry may further enhance its synthesis efficiency, addressing queries like "eco-friendly production of keto acids." As the pharmaceutical industry expands, this compound’s role in precision medicine and bioconjugation is expected to grow.
In summary, 4-(3-methyl-2-thienyl)-4-oxo-butanoic acid exemplifies the intersection of synthetic utility and industrial relevance. Its adaptability to evolving scientific needs ensures sustained interest, mirrored in frequent searches for "thienyl keto acid derivatives" and "CAS 39712-64-6 price trends." This guide aims to equip researchers and industry professionals with actionable insights into this multifaceted compound.
39712-64-6 (4-(3-methyl-2-thienyl)-4-oxo-butanoic acid) Related Products
- 20905-96-8(8H-Cyclohepta[b]thiophen-8-one,4,5,6,7-tetrahydro-)
- 1468-84-4(5,6-Dihydrobenzobthiophen-7(4H)-one)
- 71308-22-0(1-Dodecanone, 1-(3-methyl-2-thienyl)-)
- 1379312-51-2(Methyl 3-(3-methylthiophen-2-yl)-3-oxopropanoate)
- 70704-06-2(1-Pentanone, 1-(3-methyl-2-thienyl)-)
- 5650-52-2(4,5-dihydrocyclopenta[b]thiophen-6-one)
- 59303-03-6(1-Propanone,1-(3-methyl-2-thienyl)-)
- 59782-63-7(1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)-)
- 60089-61-4(1-Eicosanone, 1-(4-methyl-5-tridecyl-2-thienyl)-)
- 67839-03-6(6H-CYCLOPENTA[B]THIOPHEN-6-ONE, 4,5-DIHYDRO-2-METHYL-)