Ethyl 4-methyl-2-(2-thienyl)-1,3-thiazole-5-carboxylate

Base Information

• Chemical Name: Ethyl 4-methyl-2-(2-thienyl)-1,3-thiazole-5-carboxylate
• CAS No.: 56421-62-6
• Molecular Formula: C11H11NO2S2
• Molecular Weight: 253.34
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80372515
• Wikidata: Q82160267
• ChEMBL ID: CHEMBL1320734
• Mol file: 56421-62-6.mol

Synonyms:56421-62-6;ethyl 4-methyl-2-(2-thienyl)-1,3-thiazole-5-carboxylate;Ethyl 4-Methyl-2-(thiophen-2-yl)thiazole-5-carboxylate;ethyl 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-(thiophen-2-yl)-1,3-thiazole-5-carboxylate;Ethyl 4-methyl-2-(2-thienyl)-thiazole-5-carboxylate;ethylmethylthienylthiazolecarboxylate;MLS000721828;SCHEMBL290132;CHEMBL1320734;DTXSID80372515;HMS2718J23;MFCD00208019;AKOS005070166;3G-414S;PD019791;SMR000336968;FT-0680278;D96065;A869952;J-521044;BRD-K11049204-001-08-6;ETHYL4-METHYL-2-(THIOPHEN-2-YL)THIAZOLE-5-CARBOXYLATE;Ethyl 4-methyl-2-(2-thienyl)-thiazole-5-carboxylate, 97%, AldrichCPR

Chemical Property of Ethyl 4-methyl-2-(2-thienyl)-1,3-thiazole-5-carboxylate

Chemical Property:

• Vapor Pressure: 5.29E-06mmHg at 25°C
• Melting Point: 66-68°C
• Boiling Point: 380.9°Cat760mmHg
• PKA: 1.26±0.10(Predicted)
• Flash Point: 184.1°C
• PSA: 95.67000
• Density: 1.282g/cm³
• LogP: 3.35670
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 253.02312094
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl4-Methyl-2-(2-thienyl)-1,3-thiazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N=C(S1)C2=CC=CS2)C
• Description: ethyl 4-methyl-2-(2-thienyl)-thiazole-5 Carboxylate is a synthetic intermediate useful for pharmaceutical synthesis.
• Uses: Ethyl4-Methyl-2-(thiophen-2-yl)thiazole-5-carboxylate is a synthetic intermediate useful for pharmaceutical synthesis.

Technology Process of Ethyl 4-methyl-2-(2-thienyl)-1,3-thiazole-5-carboxylate

There total 5 articles about Ethyl 4-methyl-2-(2-thienyl)-1,3-thiazole-5-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 79.5%

→ ethyl 4-methyl-2-(thiophen-2-yl)-1,3-thiazole-5-carboxylate (56421-62-6)

Guidance literature:

With sodium carbonate; In ethanol; for 6h; Reflux;

Reference yield: 79.0%

thiophene-2-carbothioamide (20300-02-1) + ethyl (2-chloroaceto)acetate (638-07-3) → ethyl 4-methyl-2-(thiophen-2-yl)-1,3-thiazole-5-carboxylate (56421-62-6)

Guidance literature:

In ethanol; for 6h; Reflux;

DOI:10.1016/j.ejmech.2016.02.040

Reference yield:

thiophene (188290-36-0,8014-23-1,25233-34-5) + 1-(2-Amino-4-methyl-5-thiazolyl)-1-propanon (100289-17-6) → ethyl 4-methyl-2-(thiophen-2-yl)-1,3-thiazole-5-carboxylate (56421-62-6)

Guidance literature:

With isopentyl nitrite; at 70 - 80 ℃;

DOI:10.1021/jo00910a005

upstream raw materials:

thiophene

1-(2-Amino-4-methyl-5-thiazolyl)-1-propanon

thiophene-2-carbothioamide

ethyl 2-chloro-3-oxo-butyrate

Refernces

• 1、 -. "Biphenyl heterocyclic derivatives, their preparation and their use as medicaments (by machine translation)". Paragraph 0098-00101; 0167-0169. . Retrieved 2018/06/21.
• 2、 Li, Zheng,Qiu, Qianqian,Xu, Xue,Wang, Xuekun,Jiao, Lei,Su, Xin,Pan, Miaobo,Huang, Wenlong,Qian, Hai. "Design, synthesis and Structure-activity relationship studies of new thiazole-based free fatty acid receptor 1 agonists for the treatment of type 2 diabetes". supporting information. p. 246 - 257. Retrieved 2016/03/08.