Cas no 23806-24-8 (3-Methylthiophene-2-carboxylic acid)
3-Methylthiophene-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-Methyl-2-thiophenecarboxylic acid
- 3-Methylthiophene-2-carboxylic acid
- 3-METHYL-2-THENOIC ACID
- 2-Carboxy-3-methylthiophene
- 3-methyl-2-carboxy-thiophene
- 3-methyl-2-thiophenecarboxylic
- 5-methyl-2-thiophenecarboxylic acid
- 3-methyl-2-thiophene carboxylic acid
- 2-Thiophenecarboxylic acid, 3-methyl-
- IFLKEBSJTZGCJG-UHFFFAOYSA-N
- 3-methyl-thiophene-2-carboxylic acid
- 3-Methyl-2-thiophenecarboxylicacid
- PubChem5182
- 3-methyl-2-thienoic acid
- KSC201S5N
- BIDD:GT0066
- Jsp004764
- M1459
- MFCD00005438
- 60P
- SY001797
- CHEMBL4285249
- CS-W004782
- AM20090260
- EINECS 245-894-5
- AKOS000118876
- AC30341
- IFLKEBSJTZGCJG-UHFFFAOYSA-
- FT-0616191
- NS00050843
- Z104474228
- AC30341 (3)
- Q27456145
- GEO-01958
- PS-3270
- InChI=1/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)
- 3-Methylthiophene-2-carboxylicacid
- EN300-19561
- SCHEMBL159280
- 3-Methyl-2-thiophenecarboxylic acid, 98%
- BDBM185154
- 23806-24-8
- AB00421
- AC-2519
- DTXSID20178518
- W-107374
- STR06162
- 3-methyl-2-thiopene carboxylic acid
- STK503660
- DB-002521
- ALBB-005998
- DB-357248
-
- MDL: MFCD00005438
- Inchi: 1S/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)
- InChI Key: IFLKEBSJTZGCJG-UHFFFAOYSA-N
- SMILES: S1C=CC(C)=C1C(=O)O
- BRN: 116184
Computed Properties
- Exact Mass: 142.00900
- Monoisotopic Mass: 142.009
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 124
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.8
- Topological Polar Surface Area: 65.5
Experimental Properties
- Color/Form: White powder
- Density: 1.365 (estimate)
- Melting Point: 143.0 to 148.0 deg-C
- Boiling Point: 274°C at 760 mmHg
- Flash Point: 119.5°C
- Refractive Index: 1.5300 (estimate)
- PSA: 65.54000
- LogP: 1.75470
- Solubility: Not determined
3-Methylthiophene-2-carboxylic acid Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: R36/37/38: irritating to eyes, respiratory tract and skin
- Safety Instruction: S24/25
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Storage Condition:Keep in dark place,Sealed in dry,2-8°C
- Safety Term:S24/25
- Risk Phrases:R36/37/38
3-Methylthiophene-2-carboxylic acid Customs Data
- HS CODE:2934999090
- Customs Data:
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
3-Methylthiophene-2-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 248207-5G |
3-Methylthiophene-2-carboxylic acid |
23806-24-8 | 5g |
¥240.07 | 2023-12-09 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 248207-25G |
3-Methylthiophene-2-carboxylic acid |
23806-24-8 | 98% | 25G |
2204.29 | 2021-05-17 | |
| Matrix Scientific | 012535-5g |
3-Methylthiophene-2-carboxylic acid, 98% |
23806-24-8 | 98% | 5g |
$10.00 | 2023-09-06 | |
| Matrix Scientific | 012535-25g |
3-Methylthiophene-2-carboxylic acid, 98% |
23806-24-8 | 98% | 25g |
$29.00 | 2023-09-06 | |
| Matrix Scientific | 012535-100g |
3-Methylthiophene-2-carboxylic acid, 98% |
23806-24-8 | 98% | 100g |
$97.00 | 2023-09-06 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M830443-100g |
3-Methyl-2-thiophenecarboxylic acid |
23806-24-8 | 97% | 100g |
1,185.00 | 2021-05-17 | |
| TRC | M725543-50mg |
3-Methylthiophene-2-carboxylic Acid |
23806-24-8 | 50mg |
$ 50.00 | 2022-06-03 | ||
| TRC | M725543-100mg |
3-Methylthiophene-2-carboxylic Acid |
23806-24-8 | 100mg |
$ 65.00 | 2022-06-03 | ||
| TRC | M725543-500mg |
3-Methylthiophene-2-carboxylic Acid |
23806-24-8 | 500mg |
$ 80.00 | 2022-06-03 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | M56610-5g |
3-Methylthiophene-2-carboxylic acid |
23806-24-8 | 5g |
¥76.0 | 2021-09-04 |
3-Methylthiophene-2-carboxylic acid Related Literature
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Lu Chen,Christian Bruneau,Pierre H. Dixneuf,Henri Doucet Green Chem. 2012 14 1111
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Stéphane Sévigny,Pat Forgione New J. Chem. 2013 37 589
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Changjun Chen,Yixiao Pan,Haoqiang Zhao,Xin Xu,Jianbin Xu,Zongyao Zhang,Siqi Xi,Lijin Xu,Huanrong Li Org. Chem. Front. 2018 5 415
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Alexander S. Fisyuk,Renaud Demadrille,Claudia Querner,Malgorzata Zagorska,Jo?l Bleuse,Adam Pron New J. Chem. 2005 29 707
-
Mingming Yu,Yuhan Gao,Lin Zhang,Yingjie Zhang,Yiyan Zhang,Hong Yi,Zhiliang Huang,Aiwen Lei Green Chem. 2022 24 1445
Additional information on 3-Methylthiophene-2-carboxylic acid
3-Methylthiophene-2-carboxylic acid (CAS No. 23806-24-8): A Key Intermediate in Modern Pharmaceutical Synthesis
3-Methylthiophene-2-carboxylic acid, with the chemical identifier CAS No. 23806-24-8, is a versatile and highly valuable intermediate in the realm of pharmaceutical synthesis. This compound, belonging to the thiophene derivatives family, has garnered significant attention due to its unique structural properties and its role as a precursor in the development of various therapeutic agents. The molecular structure of 3-Methylthiophene-2-carboxylic acid consists of a thiophene ring substituted with a methyl group at the 3-position and a carboxylic acid functional group at the 2-position, making it a promising candidate for further chemical modifications.
The significance of 3-Methylthiophene-2-carboxylic acid in pharmaceutical research is underscored by its applications in synthesizing complex molecules that exhibit a wide range of biological activities. Recent advancements in medicinal chemistry have highlighted its utility in the development of drugs targeting various diseases, including neurological disorders, infectious diseases, and inflammatory conditions. The compound's ability to serve as a scaffold for designing novel bioactive molecules has made it a focal point in academic and industrial research.
In recent years, researchers have been exploring the potential of 3-Methylthiophene-2-carboxylic acid as a building block for drug discovery. Its structural motif is found to be particularly useful in creating molecules that can interact with biological targets with high specificity. For instance, studies have demonstrated its role in the synthesis of thiophene-based inhibitors that modulate enzyme activity, which is crucial for treating conditions such as cancer and autoimmune diseases. The carboxylic acid group provides a site for further functionalization, allowing chemists to tailor the properties of the final drug molecule to optimize its efficacy and pharmacokinetic profile.
The incorporation of 3-Methylthiophene-2-carboxylic acid into drug candidates has also shown promise in the treatment of neurological disorders. The thiophene ring is known to penetrate the blood-brain barrier, making it an attractive scaffold for developing central nervous system (CNS) drugs. Researchers have utilized derivatives of 3-Methylthiophene-2-carboxylic acid to create compounds that exhibit neuroprotective and anti-inflammatory properties. These findings are particularly relevant in the context of aging populations and the increasing prevalence of neurodegenerative diseases such as Alzheimer's and Parkinson's.
Furthermore, the compound has been investigated for its potential antimicrobial applications. The structural features of 3-Methylthiophene-2-carboxylic acid contribute to its ability to disrupt bacterial cell membranes and inhibit microbial growth. This has led to interest in developing novel antibiotics and antifungal agents based on thiophene derivatives. In an era where antibiotic resistance is becoming increasingly problematic, the search for new antimicrobial compounds is critical, and 3-Methylthiophene-2-carboxylic acid offers a promising starting point for such endeavors.
The synthetic pathways for obtaining high-purity 3-Methylthiophene-2-carboxylic acid are another area of active research. Efficient synthetic routes not only enhance cost-effectiveness but also improve scalability for industrial production. Recent studies have reported innovative methods for synthesizing this compound using catalytic processes that minimize waste and energy consumption. These advancements align with global efforts to promote sustainable chemistry practices, ensuring that pharmaceutical production remains environmentally responsible.
The role of computational chemistry in optimizing the synthesis and applications of 3-Methylthiophene-2-carboxylic acid cannot be overstated. Molecular modeling techniques have enabled researchers to predict the behavior of this compound in various chemical reactions, thereby accelerating the drug discovery process. By simulating interactions between 3-Methylthiophene-2-carboxylic acid and biological targets, scientists can design more effective drug candidates with fewer experimental trials. This interdisciplinary approach has significantly reduced development timelines and costs.
In conclusion, 3-Methylthiophene-2-carboxylic acid (CAS No. 23806-24-8) represents a cornerstone in modern pharmaceutical synthesis. Its unique structural features make it an invaluable intermediate for developing drugs targeting diverse therapeutic areas. As research continues to uncover new applications and synthetic methodologies, this compound will undoubtedly remain at the forefront of medicinal chemistry innovation.
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