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Ethyl 4-methyl-2-phenyl-1,3-oxazole-5-carboxylate is a chemical compound with the molecular formula C12H11NO3. It is a derivative of oxazole, a heterocyclic compound containing oxygen and nitrogen atoms. This specific compound features a methyl group at the 4-position, a phenyl group at the 2-position, and a carboxylate group at the 5-position. It is an important intermediate in the synthesis of various pharmaceuticals and agrochemicals due to its unique structure and reactivity. The compound is typically synthesized through a multi-step process involving the reaction of appropriate starting materials, such as amines, aldehydes, and ethyl acetoacetate. Ethyl 4-methyl-2-phenyl-1,3-oxazole-5-carboxylate is a colorless to pale yellow solid and is soluble in common organic solvents. Its applications span across various industries, including the development of new drugs, pesticides, and other specialty chemicals.

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  • 4620-52-4 Structure
  • Basic information

    1. Product Name: ETHYL 4-METHYL-2-PHENYL-1,3-OXAZOLE-5-CARBOXYLATE
    2. Synonyms: ETHYL 4-METHYL-2-PHENYL-1,3-OXAZOLE-5-CARBOXYLATE
    3. CAS NO:4620-52-4
    4. Molecular Formula: C13H13NO3
    5. Molecular Weight: 231.25
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 4620-52-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: ETHYL 4-METHYL-2-PHENYL-1,3-OXAZOLE-5-CARBOXYLATE(CAS DataBase Reference)
    10. NIST Chemistry Reference: ETHYL 4-METHYL-2-PHENYL-1,3-OXAZOLE-5-CARBOXYLATE(4620-52-4)
    11. EPA Substance Registry System: ETHYL 4-METHYL-2-PHENYL-1,3-OXAZOLE-5-CARBOXYLATE(4620-52-4)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 4620-52-4(Hazardous Substances Data)

4620-52-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 4620-52-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,6,2 and 0 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 4620-52:
(6*4)+(5*6)+(4*2)+(3*0)+(2*5)+(1*2)=74
74 % 10 = 4
So 4620-52-4 is a valid CAS Registry Number.

4620-52-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl 4-methyl-2-phenyl-1,3-oxazole-5-carboxylate

1.2 Other means of identification

Product number -
Other names 5-carbethoxy-2-phenyl-4-methyloxazole

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:4620-52-4 SDS

4620-52-4Relevant articles and documents

Generation of Dimethyl Sulfoxide Coordinated Thermally Stable Halogen Cation Pools for C?H Halogenation

Dalai, Pallaba Ganjan,Palit, Kuntal,Panda, Niranjan

supporting information, p. 1031 - 1038 (2022/02/02)

A method to generate halogen cation pools from the reaction of 1,2-dihaloethanes (hal=Br, I) and dimethyl sulfoxide (DMSO) for C?H halogenation of arenes and heteroarenes was reported. The initial reaction of DMSO and 1,2-dihaloethane generates the sulfur

Discovery of first-in-class thiazole-based dual FFA1/PPARδ agonists as potential anti-diabetic agents

Li, Zheng,Chen, Yueming,Zhou, Zongtao,Deng, Liming,Xu, Yawen,Hu, Lijun,Liu, Bing,Zhang, Luyong

, p. 352 - 365 (2019/01/04)

The free fatty acid receptor 1 (FFA1 or GPR40) and peroxisome proliferator-activated receptor δ (PPARδ) have attracted a lot of attention due to their role in promoting insulin secretion and sensibility, respectively, which are two major features of diabetes. Therefore, the dual FFA1/PPARδ agonists would increase insulin secretion and sensibility by FFA1 and PPARδ activation. In this study, we hybrid FFA1 agonist AM-4668 with PPARδ agonist GW501516, leading to the identification of orally bioavailable dual agonist 32, which revealed high selectivity over other PPARs. Moreover, compound 32 exhibited good pharmacokinetic profiles with high plasma concentration, sustained half-life and low clearance in vivo. During the hypoglycemic test, a dual agonist 32 enhanced the tolerance of ob/ob mice for glucose loading in a dose-dependent manner. Our results suggest that dual FFA1/PPARδ agonist could be a valuable therapy for type 2 diabetes.

Discovery of 2-phenylthiazole-4-carboxylic acid, a novel and potent scaffold as xanthine oxidase inhibitors

Xu, Xue,Deng, Liming,Nie, Lu,Chen, Yueming,Liu, Yanzhi,Xie, Rongrong,Li, Zheng

supporting information, p. 525 - 528 (2019/01/09)

The xanthine oxidase (XO) plays an important role in producing uric acid, and therefore XO inhibitors are considered as one of the promising therapies for hyperuricemia and gout. We have previously reported a series of XO inhibitors with pyrazole scaffold to extend the chemical space of current XO inhibitors. Herein, we describe further structural optimization to explore the optimal heterocycle by replacing the thiazole ring of Febuxostat with 5 heterocycle scaffolds unexplored in this field. All of these efforts resulted in the identification of compound 8, a potent XO inhibitor (IC50 = 48.6 nM) with novel 2-phenylthiazole-4-carboxylic acid scaffold. Moreover, lead compound 8 exhibited hypouricemic effect in potassium oxonate-hypoxanthine-induced hyperuricemic mice. These results promote the understanding of ligand-receptor interaction and might help to design more promising XO inhibitors.

Biphenyl heterocyclic derivatives, their preparation and their use as medicaments (by machine translation)

-

Paragraph 00089-0091, (2018/06/21)

The present invention relates to a novel biphenyl heterocyclic derivative represented by a general formula (I) and a preparation method thereof and use of a pharmaceutical composition containing the derivative for preparation of a drug for treating diabetes. The biphenyl heterocyclic derivative has extremely excellent hypoglycemic activity in vivo, and excellent in vivo safety and low liver toxicity risk of the compound having such a structure are unexpectedly found, and the novel biphenyl heterocyclic derivative may be used for preventing or treating diabetes.

Rhodium(I)-Catalyzed Coupling-Cyclization of C=O Bonds with α-Diazoketones

Chen, Ziyang,Hu, Xinwei,Huang, Junmin,Zeng, Wei

, p. 3980 - 3983 (2018/07/15)

An unprecedented intermolecular nucleophilic attack of C=X bonds (X = O and S) on the rhodium(I)-carbenes has been developed. This transformation allows for the coupling-cyclization of aroylamides with α-diazoketones and provides concise access to 2,4,5-trisubstituted 1,3-oxazoles and 1,3-thiazoles with a broad tolerance of functional groups.

Design, synthesis and Structure-activity relationship studies of new thiazole-based free fatty acid receptor 1 agonists for the treatment of type 2 diabetes

Li, Zheng,Qiu, Qianqian,Xu, Xue,Wang, Xuekun,Jiao, Lei,Su, Xin,Pan, Miaobo,Huang, Wenlong,Qian, Hai

supporting information, p. 246 - 257 (2016/03/08)

The free fatty acid receptor 1 (FFA1/GPR40) has attracted interest as a novel target for the treatment of type 2 diabetes. Several series of FFA1 agonists including TAK-875, the most advanced compound terminated in phase III studies due to concerns about liver toxicity, have been hampered by relatively high molecular weight and lipophilicity. Aiming to develop potent FFA1 agonists with low risk of liver toxicity by decreasing the lipophilicity, the middle phenyl of TAK-875 was replaced by 11 polar five-membered heteroaromatics. Subsequently, systematic exploration of SAR and application of molecular modeling, leads to the identification of compound 44, which was an excellent FFA1 agonist with robustly hypoglycemic effect both in normal and type 2 diabetic mice, low risks of hypoglycemia and liver toxicity even at the twice molar dose of TAK-875. Meanwhile, two important findings were noted. First, the methyl group in our thiazole series occupied a small hydrophobic subpocket which had no interactions with TAK-875. Furthermore, the agonistic activity revealed a good correlation with the dihedral angle between thiazole core and the terminal benzene ring. These results promote the understanding of ligand-binding pocket and might help to design more promising FFA1 agonists.

Synthesis of substituted oxazoles from enamides

Panda, Niranjan,Mothkuri, Raghavender

, p. 5727 - 5735 (2015/01/16)

Annulation of enamides into 2,5- and 2,4,5-substituted oxazoles by NBS/Me2S in the presence of mild base has been achieved. The reaction conditions are simple and tolerant to a wide variety of substituents including both electron-donating and withdrawing groups to produce oxazoles in one-pot without further purification of the intermediate.

Palladium-catalyzed sequential C-N/C-O bond formations: Synthesis of oxazole derivatives from amides and ketones

Zheng, Meifang,Huang, Liangbin,Huang, Huawen,Li, Xianwei,Wu, Wanqing,Jiang, Huanfeng

supporting information, p. 5906 - 5909 (2015/01/09)

A highly efficient method for the synthesis of oxazole derivatives from simple amides and ketones has been established via a Pd(II)-catalyzed sp2 C-H activation pathway in one step. The reaction is supposed to proceed through a C-N bond formation followed by a C-O bond formation closing the ring. Because of the simple and readily available starting materials, easy operation, and high bioactivity of oxazoles, this strategy can be broadly applied to medical chemistry.

Towards Gram-negative antivirulence drugs: New inhibitors of HldE kinase

Desroy, Nicolas,Moreau, Francois,Briet, Sophia,Fralliec, Geraldine Le,Floquet, Stephanie,Durant, Lionel,Vongsouthi, Vanida,Gerusz, Vincent,Denis, Alexis,Escaich, Sonia

experimental part, p. 1276 - 1289 (2009/07/11)

Gram-negative bacteria lacking heptoses in their lipopolysaccharide (LPS) display attenuated virulence and increased sensitivity to human serum and to some antibiotics. Thus inhibition of bacterial heptose synthesis represents an attractive target for the development of new antibacterial agents. HldE is a bifunctional enzyme involved in the synthesis of bacterial heptoses. Development of a biochemical assay suitable for high-throughput screening allowed the discovery of inhibitors 1 and 2 of HldE kinase. Study of the structure-activity relationship of this series of inhibitors led to highly potent compounds.

A new approach to the synthesis of 2-aryl-4-halomethyl-5-methyl-1,3- oxazoles by highly regioselective direct halogenation with NBS or NCS/MeCN

Yamane, Taihei,Mitsudera, Hiroyuki,Shundoh, Takatsugu

, p. 2825 - 2832 (2007/10/03)

A simple and efficient method for the synthesis of 2-aryl-4-bromomethyl-5- methyl-1,3-oxazoles 2 and 2-aryl-4-chloromethyl-5-methyl-1,3-oxazoles 3 is described. The reaction of 2-aryl-4,5-dimethyl-1,3-oxazoles 1 with N-bromosuccinimide and N-chlorosuccini

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