Cas no 17381-54-3 (Benzobthiophene-5-acetic Acid)
Benzobthiophene-5-acetic Acid Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene-5-acetic acid
- EN300-782000
- MFCD20638981
- benzothiophene-5-acetic acid
- DB-384673
- HOVPXJOSTYXDCM-UHFFFAOYSA-N
- 17381-54-3
- SCHEMBL631209
- 2-(BENZO[B]THIOPHEN-5-YL)ACETICACID
- (1-benzothiophen-5-yl)acetic acid
- 2-(1-benzothiophen-5-yl)acetic acid
- 2-(BENZO[B]THIOPHEN-5-YL)ACETIC ACID
- A902885
- Benzobthiophene-5-acetic Acid
-
- MDL: MFCD20638981
- Inchi: 1S/C10H8O2S/c11-10(12)6-7-1-2-9-8(5-7)3-4-13-9/h1-5H,6H2,(H,11,12)
- InChI Key: HOVPXJOSTYXDCM-UHFFFAOYSA-N
- SMILES: S1C=CC2C=C(C=CC1=2)CC(=O)O
Computed Properties
- Exact Mass: 192.02454
- Monoisotopic Mass: 192.02450067g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 205
- 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: 2.4
- Topological Polar Surface Area: 65.5?2
Experimental Properties
- PSA: 37.3
Benzobthiophene-5-acetic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B276740-100mg |
Benzo[b]thiophene-5-acetic Acid |
17381-54-3 | 100mg |
$ 161.00 | 2023-04-18 | ||
| TRC | B276740-500mg |
Benzo[b]thiophene-5-acetic Acid |
17381-54-3 | 500mg |
$ 661.00 | 2023-04-18 | ||
| eNovation Chemicals LLC | D593896-1g |
Benzo[b]thiophene-5-acetic acid |
17381-54-3 | 95% | 1g |
$1050 | 2024-08-03 | |
| eNovation Chemicals LLC | D593896-5g |
Benzo[b]thiophene-5-acetic acid |
17381-54-3 | 95% | 5g |
$2860 | 2024-08-03 | |
| eNovation Chemicals LLC | D593896-10g |
Benzo[b]thiophene-5-acetic acid |
17381-54-3 | 95% | 10g |
$3940 | 2024-08-03 | |
| Chemenu | CM462769-100mg |
Benzo[b]thiophene-5-acetic acid |
17381-54-3 | 95%+ | 100mg |
$*** | 2023-03-31 | |
| Chemenu | CM462769-250mg |
Benzo[b]thiophene-5-acetic acid |
17381-54-3 | 95%+ | 250mg |
$*** | 2023-03-31 | |
| Chemenu | CM462769-500mg |
Benzo[b]thiophene-5-acetic acid |
17381-54-3 | 95%+ | 500mg |
$*** | 2023-03-31 | |
| Chemenu | CM462769-1g |
Benzo[b]thiophene-5-acetic acid |
17381-54-3 | 95%+ | 1g |
$*** | 2023-03-31 | |
| Enamine | EN300-782000-0.05g |
2-(1-benzothiophen-5-yl)acetic acid |
17381-54-3 | 95% | 0.05g |
$232.0 | 2024-05-22 |
Benzobthiophene-5-acetic Acid Related Literature
-
Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
Additional information on Benzobthiophene-5-acetic Acid
Introduction to Benzobthiophene-5-acetic Acid (CAS No. 17381-54-3)
Benzobthiophene-5-acetic Acid (CAS No. 17381-54-3) is a significant compound in the field of organic chemistry and pharmaceutical research. This heterocyclic aromatic compound features a unique structural framework that combines a benzene ring with a thiophene ring, linked by a central carbon atom. The presence of an acetic acid moiety at the 5-position adds to its chemical versatility, making it a valuable intermediate in the synthesis of various bioactive molecules.
The molecular structure of Benzobthiophene-5-acetic Acid consists of a benzene ring fused with a thiophene ring, which imparts distinct electronic and steric properties to the molecule. The acetic acid group introduces a polar functional handle, facilitating further derivatization and enabling its incorporation into more complex molecular architectures. This compound has garnered considerable attention in recent years due to its potential applications in medicinal chemistry and materials science.
In the realm of pharmaceutical research, Benzobthiophene-5-acetic Acid has been explored as a precursor for the development of novel therapeutic agents. Its structural motif is reminiscent of several bioactive natural products and pharmacologically relevant scaffolds. For instance, derivatives of benzobthiophene have shown promise in the treatment of neurological disorders, inflammation, and infectious diseases. The acetic acid functionality allows for easy modification through esterification or amidation, broadening its utility in drug design.
Recent studies have highlighted the role of benzobthiophene derivatives in modulating enzyme activity and receptor binding. Specifically, researchers have investigated the interaction of these compounds with targets such as cyclooxygenase (COX) and lipoxygenase (LOX), which are key enzymes involved in inflammatory pathways. The acetic acid side chain in Benzobthiophene-5-acetic Acid provides a suitable platform for designing molecules that can selectively inhibit these enzymes without significant side effects.
The synthesis of Benzobthiophene-5-acetic Acid typically involves multi-step organic reactions, starting from readily available aromatic precursors. Common synthetic routes include cyclization reactions followed by functional group transformations to introduce the acetic acid moiety. Advances in catalytic methods have enabled more efficient and scalable production processes, making this compound more accessible for industrial applications.
From a materials science perspective, benzobthiophene derivatives exhibit interesting electronic properties due to their conjugated system. These compounds have been explored as building blocks for organic semiconductors and optoelectronic materials. The integration of benzobthiophene-based molecules into thin-film devices has shown potential for applications in organic light-emitting diodes (OLEDs), solar cells, and field-effect transistors (FETs).
The biological activity of Benzobthiophene-5-acetic Acid has been further elucidated through computational modeling and experimental studies. Molecular docking simulations have helped predict binding affinities and interactions with biological targets, guiding the design of more potent derivatives. In vitro assays have confirmed the inhibitory effects of certain benzobthiophene analogs on relevant enzymes and receptors, supporting their continued development as lead compounds.
The environmental impact of using Benzobthiophene-5-acetic Acid as an intermediate has also been considered. Efforts have been made to develop greener synthetic routes that minimize waste and reduce energy consumption. Biocatalytic methods, particularly those involving enzymatic transformations, offer promising alternatives to traditional chemical synthesis, aligning with sustainable chemistry principles.
In conclusion, Benzobthiophene-5-acetic Acid (CAS No. 17381-54-3) is a versatile compound with significant potential in pharmaceuticals and materials science. Its unique structural features make it an attractive scaffold for drug discovery, while its electronic properties make it valuable for developing advanced materials. Ongoing research continues to uncover new applications for this compound, reinforcing its importance in modern chemistry.
17381-54-3 (Benzobthiophene-5-acetic Acid) Related Products
- 91034-92-3( )
- 128995-45-9
- 30161-13-8( )
- 69965-83-9(3-Dibenzothiophenepropanoic acid)
- 877265-06-0(Benzo[b]thiophene-5-acetic acid, methyl ester)
- 1131-09-5(Benzobthiophene-3-acetic Acid)
- 519188-42-2(519188-42-2)
- 1735-12-2(2-(5-methyl-1-benzothiophen-3-yl)acetic acid)
- 2635-75-8(2-(1-benzothiophen-4-yl)acetic acid)
- 64962-58-9(3-DIBENZOTHIOPHENEACETIC ACID)