Cas no 33123-73-8 (4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester)
4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester Chemical and Physical Properties
Names and Identifiers
-
- 4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester
- 2-Carbethoxy-4,5-dimethyloxazole
- 4,5-Dimethyl-oxazole-2-carboxylic acid ethyl ester
- 33123-73-8
- CS-0188301
- BS-49918
- E76258
- Ethyl4,5-dimethyloxazole-2-carboxylate
- SB36641
- MFCD22689290
- DB-315983
- SCHEMBL2616845
- Ethyl 4,5-dimethyloxazole-2-carboxylate
- ethyl 4,5-dimethyl-1,3-oxazole-2-carboxylate
-
- MDL: MFCD22689290
- Inchi: 1S/C8H11NO3/c1-4-11-8(10)7-9-5(2)6(3)12-7/h4H2,1-3H3
- InChI Key: WUJJALUYISMRGX-UHFFFAOYSA-N
- SMILES: O1C(C(=O)OCC)=NC(C)=C1C
Computed Properties
- Exact Mass: 169.07389321g/mol
- Monoisotopic Mass: 169.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 172
- 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: 1.7
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- Melting Point: NA
4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM190860-1g |
ethyl 4,5-dimethyloxazole-2-carboxylate |
33123-73-8 | 95% | 1g |
$583 | 2021-08-05 | |
| TRC | D476220-100mg |
4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester |
33123-73-8 | 100mg |
$207.00 | 2023-05-18 | ||
| TRC | D476220-1g |
4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester |
33123-73-8 | 1g |
$ 1360.00 | 2022-06-05 | ||
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 56R0531-1g |
4,5-Dimethyl-oxazole-2-carboxylic acid ethyl ester |
33123-73-8 | 96% | 1g |
8463.46CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 56R0531-5g |
4,5-Dimethyl-oxazole-2-carboxylic acid ethyl ester |
33123-73-8 | 96% | 5g |
33904.74CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 56R0531-500mg |
4,5-Dimethyl-oxazole-2-carboxylic acid ethyl ester |
33123-73-8 | 96% | 500mg |
4655.75CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 56R0531-250mg |
4,5-Dimethyl-oxazole-2-carboxylic acid ethyl ester |
33123-73-8 | 96% | 250mg |
2756.14CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 56R0531-100mg |
4,5-Dimethyl-oxazole-2-carboxylic acid ethyl ester |
33123-73-8 | 96% | 100mg |
1797.85CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 56R0531-50mg |
4,5-Dimethyl-oxazole-2-carboxylic acid ethyl ester |
33123-73-8 | 96% | 50mg |
1322.95CNY | 2021-05-08 | |
| Chemenu | CM190860-250mg |
ethyl 4,5-dimethyloxazole-2-carboxylate |
33123-73-8 | 95% | 250mg |
$*** | 2023-05-30 |
4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
Additional information on 4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester
Research Briefing on 4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester (CAS: 33123-73-8) and Its Applications in Chemical Biology and Pharmaceutical Research
4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester (CAS: 33123-73-8) is a heterocyclic compound that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This oxazole derivative serves as a key intermediate in the synthesis of various bioactive molecules, including potential drug candidates. The compound's unique structural features, such as the oxazole ring and ester functionality, make it a valuable building block for medicinal chemistry and drug discovery efforts.
Recent studies have explored the synthetic utility of 4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester in the development of novel therapeutic agents. A 2023 publication in the Journal of Medicinal Chemistry demonstrated its use as a precursor for the synthesis of small-molecule inhibitors targeting protein-protein interactions (PPIs) involved in cancer progression. The researchers successfully modified the oxazole core to enhance binding affinity and selectivity for specific oncogenic targets, highlighting the compound's potential in anticancer drug development.
In the field of antimicrobial research, 4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester has shown promise as a scaffold for designing new antibiotics. A recent study published in Bioorganic & Medicinal Chemistry Letters (2024) reported the synthesis of oxazole-containing analogs with potent activity against multidrug-resistant bacterial strains. The ethyl ester moiety was found to play a crucial role in improving the compounds' pharmacokinetic properties, including membrane permeability and metabolic stability.
The compound's mechanism of action and structure-activity relationships (SAR) have been the subject of ongoing investigations. Computational modeling studies have revealed that the 4,5-dimethyl substitution pattern on the oxazole ring contributes significantly to the compound's binding interactions with biological targets. These insights are informing the rational design of more effective derivatives with optimized pharmacological profiles.
From a synthetic chemistry perspective, recent advances have focused on developing more efficient and sustainable routes to produce 4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester. A 2023 Green Chemistry publication described a novel catalytic system that enables the preparation of this compound with improved yields and reduced environmental impact. These methodological improvements are expected to facilitate broader access to this important building block for research and development purposes.
Looking ahead, 4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester continues to be a valuable tool in chemical biology research. Its applications extend beyond drug discovery to areas such as chemical probe development and target identification. As research progresses, we anticipate seeing more innovative uses of this compound in addressing challenging biological questions and unmet medical needs.
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