Cas no 1846-76-0 (Ethyl 3-coumarincarboxylate)
Ethyl 3-coumarincarboxylate Chemical and Physical Properties
Names and Identifiers
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- Ethyl 2-oxo-2H-chromene-3-carboxylate
- ETHYL 3-COUMARINCARBOXYLATE
- COUMARIN-3-CARBOXYLIC ACID ETHYL ESTER
- AURORA KA-28
- RARECHEM AB KA K001
- 1,2-Benzopyran-2-one-3-carboxylic acid, ethyl ester
- Ethyl coumarin-3-carboxylate
- 3-Ethoxycarbonylcoumarin
- ethyl 2-oxochromene-3-carboxylate
- 2-oxo-2H-1-benzopyran-3-carboxylic acid ethyl ester
- 2-oxochromene-3-carboxylic acid ethyl ester
- 3-Carbethoxycoumarin
- 3-carboethoxycoumarin
- ethyl 2-oxo-2H-1-benzopyran-3-carboxylate
- ethyl 2-oxo-2H-1-benzopyrano-3-carboxylate
- thyl 3-coumarincarboxylate
- Ethylcoumarin-3-carboxylate98%
- Ethyl 3-coumarincarboxylate 99%
- Ethyl 3-coumarincarboxylate,97%
- Ethylcoumarin-3-carboxylate
- 2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 2-OXO-, ETHYL ESTER
- 27EAZ97E5V
- XKHPEMKBJGUYCM-UHFFFAOYSA-N
- 2H-1-Benzopyran-3-carboxylicacid, 2-oxo-, ethyl ester
- ETHYL 2H-1-BENZOPYRAN-2-OXO-3-CARBOXYLATE
- CHEMBL591436
- NSC-620
- 2-oxo-chromene-3-carboxylic acid ethyl ester
- SDCCGMLS-0065851.P001
- NSC620
- NSC 620
- Ethyl 2-oxo-2H-chromene-3-carboxylate #
- AKOS002664637
- BRN 0200147
- HY-W014081
- Propionic acid 2-oxo-2H-chromen-3-yl ester
- MFCD00016964
- J-011833
- UNII-27EAZ97E5V
- FT-0625770
- A812880
- s9336
- DTXSID70171594
- InChI=1/C12H10O4/c1-2-15-11(13)9-7-8-5-3-4-6-10(8)16-12(9)14/h3-7H,2H2,1H3
- 1846-76-0
- E0992
- XKHPEMKBJGUYCM-UHFFFAOYSA-
- 1ST164124
- SY048423
- HMS544J16
- 2-OXO-2H, ETHYL ESTER
- ETHYL 2H-2-OXO-1-BENZOPYRAN-3-CARBOXYLATE
- AJ-333/36116059
- SCHEMBL6243624
- CS-W014797
- Maybridge1_001094
- CCG-244048
- AMY25106
- PS-5756
- Ethyl 3-coumarincarboxylate, 99%
- FC16
- DB-044537
- ALBB-036325
- STK721837
- 811-043-7
- DTXCID4094085
- Ethyl 3-coumarincarboxylate
-
- MDL: MFCD00016964
- Inchi: 1S/C12H10O4/c1-2-15-11(13)9-7-8-5-3-4-6-10(8)16-12(9)14/h3-7H,2H2,1H3
- InChI Key: XKHPEMKBJGUYCM-UHFFFAOYSA-N
- SMILES: O1C(C(C(=O)OCC)=CC2C=CC=CC1=2)=O
- BRN: 0200147
Computed Properties
- Exact Mass: 218.05800
- Monoisotopic Mass: 218.057909
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 332
- 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: 2.3
- Topological Polar Surface Area: 52.6
Experimental Properties
- Color/Form: powder
- Density: 1.1096 (rough estimate)
- Melting Point: 92.0 to 96.0 deg-C
- Boiling Point: 278.88°C (rough estimate)
- Flash Point: 195.6°C
- Refractive Index: 1.4270 (estimate)
- PSA: 56.51000
- LogP: 1.96970
- λmax: 334(CH2Cl2)(lit.)
- Solubility: Insoluble
Ethyl 3-coumarincarboxylate Security Information
-
Symbol:
- Prompt: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
- Safety Instruction: S24/25
- RTECS:DJ2501000
-
Hazardous Material Identification:
- Safety Term:S24/25
- HazardClass:IRRITANT
Ethyl 3-coumarincarboxylate Customs Data
- HS CODE:2932209090
- Customs Data:
China Customs Code:
2932209090Overview:
2932209090. Other lactones. 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:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Ethyl 3-coumarincarboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E138401-100g |
Ethyl 3-coumarincarboxylate |
1846-76-0 | ≥98% | 100g |
¥3104.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E138401-1g |
Ethyl 3-coumarincarboxylate |
1846-76-0 | ≥98% | 1g |
¥97.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E138401-25g |
Ethyl 3-coumarincarboxylate |
1846-76-0 | ≥98% | 25g |
¥1124.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E138401-5g |
Ethyl 3-coumarincarboxylate |
1846-76-0 | ≥98% | 5g |
¥281.90 | 2023-09-03 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | E0992-25G |
Ethyl Coumarin-3-carboxylate |
1846-76-0 | >98.0%(GC) | 25g |
¥2240.00 | 2023-09-08 | |
| Chemenu | CM283924-100g |
Ethyl 2-oxo-2H-chromene-3-carboxylate |
1846-76-0 | 97% | 100g |
$312 | 2021-06-17 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R030206-1g |
Ethyl 3-coumarincarboxylate |
1846-76-0 | 98% | 1g |
¥86 | 2024-05-25 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R030206-5g |
Ethyl 3-coumarincarboxylate |
1846-76-0 | 98% | 5g |
¥262 | 2024-05-25 | |
| ChemScence | CS-W014797-100mg |
Ethyl 3-coumarincarboxylate |
1846-76-0 | 99.97% | 100mg |
$50.0 | 2021-09-02 | |
| TRC | B441950-2.5g |
ethyl 2-oxo-2H-chromene-3-carboxylate |
1846-76-0 | 2.5g |
$ 50.00 | 2022-06-07 |
Ethyl 3-coumarincarboxylate Suppliers
Ethyl 3-coumarincarboxylate Related Literature
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Nayim Sepay,Chayan Guha,Arpan Kool,Asok K. Mallik RSC Adv. 2015 5 70718
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Omobolanle J. Jesumoroti,Faridoon,Dumisani Mnkandhla,Michelle Isaacs,Heinrich C. Hoppe,Rosalyn Klein Med. Chem. Commun. 2019 10 80
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Jéssica Alves Nunes,Fabrícia Nunes da Silva,Elany Barbosa da Silva,Clara Andrezza Crisóstomo Bezerra Costa,Johnnatan Duarte de Freitas,Francisco Jaime Bezerra Mendon?a-Junior,Miriam Aparecida Giardini,Jair Lage de Siqueira-Neto,James H. McKerrow,Thaiz Rodrigues Teixeira,Louis William Odeesho,Conor R. Caffrey,Sílvia Helena Cardoso,Edeildo Ferreira da Silva-Júnior New J. Chem. 2023 47 10127
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Rocío J. Santos-Contreras,Francisco J. Martínez-Martínez,N. Alejandra Mancilla-Margalli,Ana L. Peraza-Campos,Luis M. Morín-Sánchez,Efrén V. García-Báez,Itzia I. Padilla-Martínez CrystEngComm 2009 11 1451
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Mehrez E. El-Naggar,Emad K. Radwan,Huda R. M. Rashdan,Shaimaa T. El-Wakeel,Asmaa A. Koryam,Ahmed Sabt RSC Adv. 2022 12 18923
Additional information on Ethyl 3-coumarincarboxylate
Ethyl 3-coumarincarboxylate (CAS No. 1846-76-0): A Comprehensive Overview in Modern Chemical Biology
Ethyl 3-coumarincarboxylate, identified by the chemical compound code CAS No. 1846-76-0, represents a significant molecule in the realm of chemical biology and pharmaceutical research. This compound, belonging to the coumarin derivatives family, has garnered considerable attention due to its versatile applications and structural properties that make it a valuable candidate for various biochemical studies.
The molecular structure of Ethyl 3-coumarincarboxylate consists of a coumarin core substituted with an ethyl ester group at the 3-position. This configuration imparts unique reactivity and functional characteristics, making it a preferred choice for synthetic chemists and biologists exploring novel therapeutic agents. The coumarin scaffold is well-known for its pharmacological properties, including anti-inflammatory, antimicrobial, and antioxidant effects, which have been extensively studied in recent years.
In recent years, there has been a surge in research focusing on coumarin derivatives due to their potential in drug development. Specifically, Ethyl 3-coumarincarboxylate has been investigated for its role in modulating cellular pathways associated with cancer and neurodegenerative diseases. Studies have demonstrated that this compound can interact with specific enzymes and receptors, leading to the inhibition of tumor growth and the prevention of neurotoxicity. These findings have opened new avenues for therapeutic applications, particularly in oncology and neurology.
The synthesis of Ethyl 3-coumarincarboxylate involves multi-step organic reactions that highlight the compound's synthetic versatility. Researchers have developed efficient synthetic routes that optimize yield and purity, making it feasible for large-scale production. Advanced techniques such as palladium-catalyzed cross-coupling reactions have been employed to enhance the synthesis process, ensuring high-quality material for subsequent biological evaluations.
Beyond its pharmaceutical applications, Ethyl 3-coumarincarboxylate has shown promise in agricultural science. Its structural properties allow it to act as a natural pesticide by disrupting metabolic pathways in pests while maintaining low toxicity to non-target organisms. This makes it an attractive candidate for developing eco-friendly pest control solutions, aligning with global efforts towards sustainable agriculture.
The chemical biology of Ethyl 3-coumarincarboxylate also intersects with material science. Researchers have explored its potential as a precursor for developing organic semiconductors and light-emitting materials. The compound's ability to form stable complexes with other molecules has been leveraged to create novel materials with applications in optoelectronics and nanotechnology. These interdisciplinary studies underscore the broad utility of coumarin derivatives in advancing multiple scientific fields.
In conclusion, Ethyl 3-coumarincarboxylate (CAS No. 1846-76-0) is a multifaceted compound with significant implications in chemical biology and pharmaceutical research. Its unique structural features and functional properties make it a valuable tool for developing new drugs, pesticides, and advanced materials. As research continues to uncover new applications, this compound is poised to play an increasingly important role in addressing global challenges in health, agriculture, and technology.
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