Cas no 1629-78-3 (2-Acetylbenzothiazole)
2-Acetylbenzothiazole Chemical and Physical Properties
Names and Identifiers
-
- 1-(Benzo[d]thiazol-2-yl)ethanone
- 1,3-BENZOTHIAZOLE-2-CARBALDEHYDE
- 1,3-BENZOTHIAZOLE-2-CARBOXALDEHYDE
- 1-(1,3-BENZOTHIAZOL-2-YL)ETHANONE
- BENZOTHIAZOLE-2-CARBALDEHYDE
- BENZOTHIAZOLE-2-CARBOXALDEHYDE
- RARECHEM AM LA 0033
- 1-(2-benzothiazolyl)Ethanone
- 2-Acetylbenzothiazole
- Ethanone, 1-(2-benzothiazolyl)-
- AKOS BBS-00006878
- 2-ACETYLBENZOTHIAZOLE 99%
- EN300-12781
- AM9594
- CS-0141835
- SY109579
- J-009988
- AE-848/01498038
- 1W-0233
- BCP18676
- 1-(benzo[d]thiazol-2-yl)ethan-1-one
- MFCD00192994
- SR-01000389601
- InChI=1/C9H7NOS/c1-6(11)9-10-7-4-2-3-5-8(7)12-9/h2-5H,1H
- Z57218968
- 1-(1,3-Benzothiazol-2-yl)ethanone #
- AKOS000268835
- SCHEMBL569032
- SR-01000389601-1
- FT-0651404
- 2-acetylbenzothiazole, AldrichCPR
- F0346-3767
- Ethanone,1-(2-benzothiazolyl)
- 1-(1,3-benzothiazol-2-yl)ethan-1-one
- 1-Benzothiazol-2-yl-ethanone
- 1629-78-3
- A810430
- DTXSID00337181
- D82815
- STK797829
- DB-064481
- ALBB-015301
- AE-848/30701014
-
- MDL: MFCD00192994
- Inchi: 1S/C9H7NOS/c1-6(11)9-10-7-4-2-3-5-8(7)12-9/h2-5H,1H3
- InChI Key: GSTOPVGJHLPSBJ-UHFFFAOYSA-N
- SMILES: S1C(C(C)=O)=NC2C=CC=CC1=2
Computed Properties
- Exact Mass: 177.02500
- Monoisotopic Mass: 177.024835
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 195
- 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: 2.3
- Topological Polar Surface Area: 58.2
Experimental Properties
- Color/Form: Gray white to yellow crystalline solid
- Density: 1.286
- Melting Point: 72-76 oC
- Boiling Point: 301.9 °C at 760 mmHg
- Flash Point: 136.4 °C
- Refractive Index: 1.655
- PSA: 58.20000
- LogP: 2.49890
2-Acetylbenzothiazole Security Information
- Hazard Category Code: R22;R36;R43
- Safety Instruction: S26-S36/37
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Risk Phrases:R22; R36; R43
2-Acetylbenzothiazole 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%
2-Acetylbenzothiazole 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. | CDS003776-250MG |
2-acetylbenzothiazole |
1629-78-3 | 250mg |
¥952.83 | 2023-11-13 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X57075-100mg |
1-(Benzo[d]thiazol-2-yl)ethanone |
1629-78-3 | 95% | 100mg |
¥53.0 | 2023-09-05 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X57075-1g |
1-(Benzo[d]thiazol-2-yl)ethanone |
1629-78-3 | 95% | 1g |
¥279.0 | 2023-09-05 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X57075-250mg |
1-(Benzo[d]thiazol-2-yl)ethanone |
1629-78-3 | 95% | 250mg |
¥271.0 | 2022-04-26 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X57075-5g |
1-(Benzo[d]thiazol-2-yl)ethanone |
1629-78-3 | 95% | 5g |
¥2703.0 | 2022-04-26 | |
| TRC | B410718-25mg |
1-(1,3-Benzothiazol-2-yl)ethan-1-one |
1629-78-3 | 25mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B410718-50mg |
1-(1,3-Benzothiazol-2-yl)ethan-1-one |
1629-78-3 | 50mg |
$ 65.00 | 2022-06-07 | ||
| TRC | B410718-250mg |
1-(1,3-Benzothiazol-2-yl)ethan-1-one |
1629-78-3 | 250mg |
$ 80.00 | 2022-06-07 | ||
| Alichem | A059005441-5g |
1-(Benzo[d]thiazol-2-yl)ethanone |
1629-78-3 | 95% | 5g |
$552.08 | 2022-04-02 | |
| Alichem | A059005441-10g |
1-(Benzo[d]thiazol-2-yl)ethanone |
1629-78-3 | 95% | 10g |
$860.28 | 2022-04-02 |
2-Acetylbenzothiazole Related Literature
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1. Ipso substitution in the reaction of acyl radicals with 2-substituted benzothiazolesMichele Fiorentino,Lorenzo Testaferri,Marcello Tiecco,Luigino Troisi J. Chem. Soc. Chem. Commun. 1977 317
-
T. Caronna,G. P. Gardini,F. Minisci J. Chem. Soc. D 1969 201
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3. Displacement of the acyl group in benzothiazoles by nucleophilic alkyl radicals. Homolytic aromatic ipso-substitutionMichele Fiorentino,Lorenzo Testaferri,Marcello Tiecco,Luigino Troisi J. Chem. Soc. Perkin Trans. 2 1977 1679
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4. Homolytic acylation of benzothiazole. A diagnostic criterion for the presence of acyl radicalsT. Caronna,R. Galli,V. Malatesta,F. Minisci J. Chem. Soc. C 1971 1747
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5. Reversibility of the homolytic acylation. Substitution of acyl groups in protonated heteroaromatic bases by nucleophilic free radicalsT. Caronna,A. Citterio,M. Bellatti J. Chem. Soc. Chem. Commun. 1976 987
Additional information on 2-Acetylbenzothiazole
Introduction to 2-Acetylbenzothiazole (CAS No: 1629-78-3)
2-Acetylbenzothiazole, with the chemical formula C?H?NO?S, is a heterocyclic organic compound that has garnered significant attention in the field of pharmaceutical and chemical research due to its versatile structural properties and potential biological activities. This compound belongs to the benzothiazole class, which is known for its broad spectrum of applications in medicinal chemistry, agrochemicals, and material science. The presence of both acetyl and benzothiazole moieties in its structure imparts unique reactivity and functionality, making it a valuable scaffold for the development of novel derivatives with enhanced properties.
The CAS number 1629-78-3 provides a unique identifier for this compound, ensuring consistency and accuracy in scientific literature and industrial applications. As a key intermediate in organic synthesis, 2-Acetylbenzothiazole serves as a precursor for various pharmacologically active molecules. Its structural framework allows for modifications at multiple positions, enabling chemists to tailor its biological profile for specific therapeutic targets.
In recent years, 2-Acetylbenzothiazole has been extensively studied for its potential role in drug discovery. One of the most promising areas of research involves its application as a precursor in the synthesis of bioactive molecules targeting neurological disorders. Studies have demonstrated that derivatives of benzothiazole can modulate neurotransmitter pathways, making them candidates for treating conditions such as Alzheimer's disease and Parkinson's disease. The acetyl group in 2-Acetylbenzothiazole enhances its solubility and bioavailability, facilitating better absorption and action within biological systems.
Additionally, 2-Acetylbenzothiazole has shown promise in the development of antimicrobial agents. The benzothiazole core is known to exhibit inhibitory effects against various bacterial and fungal strains by interfering with essential metabolic pathways. Recent research has highlighted its potential as an alternative to conventional antibiotics, particularly in addressing multidrug-resistant pathogens. The acetyl moiety further contributes to this activity by enhancing binding affinity to microbial targets.
The compound's utility extends beyond pharmaceutical applications. In material science, 2-Acetylbenzothiazole is utilized as a building block for synthesizing advanced polymers and coatings with improved thermal stability and mechanical strength. These materials find applications in electronics, aerospace, and automotive industries where high-performance components are essential.
From a synthetic chemistry perspective, 2-Acetylbenzothiazole offers a rich platform for exploring novel reaction pathways and catalytic systems. Its reactivity allows for the introduction of diverse functional groups, enabling the creation of complex molecular architectures. Researchers have leveraged this compound to develop innovative synthetic strategies that enhance efficiency and sustainability in drug manufacturing processes.
The growing interest in green chemistry has also spurred investigations into eco-friendly methods for synthesizing 2-Acetylbenzothiazole. Catalytic processes that minimize waste and energy consumption are being prioritized to align with global environmental goals. Such advancements not only improve cost-effectiveness but also reduce the ecological footprint of chemical production.
In conclusion, 2-Acetylbenzothiazole (CAS No: 1629-78-3) is a multifaceted compound with far-reaching implications across multiple scientific disciplines. Its structural versatility makes it an indispensable tool in pharmaceutical research, antimicrobial drug development, material science, and synthetic chemistry. As our understanding of its properties continues to evolve, so too will its applications, driving innovation and progress in both academic and industrial settings.
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