2-Morpholin-4-YL-4-phenyl-thiazole-5-carboxylic acid ethyl ester

Base Information

• Chemical Name: 2-Morpholin-4-YL-4-phenyl-thiazole-5-carboxylic acid ethyl ester
• CAS No.: 55040-86-3
• Molecular Formula: C16H18N2O3S
• Molecular Weight: 318.397
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70480113
• Nikkaji Number: J3.054.050F
• Wikidata: Q72493217
• Mol file: 55040-86-3.mol

Synonyms:55040-86-3;2-MORPHOLIN-4-YL-4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER;ethyl 2-morpholino-4-phenylthiazole-5-carboxylate;ethyl 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxylate;2-MORPHOLIN-4-YL-4-PHENYLTHIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER;Ethyl 2-(morpholin-4-yl)-4-phenyl-1,3-thiazole-5-carboxylate;ethyl 2-(4-morpholinyl)-4-phenyl-1,3-thiazole-5-carboxylate;2-Morpholin-4-yl-4-phenyl-thiazole-5-carboxylic?acid?ethyl?ester;DTXSID70480113;FT-0720338;AP-501/43397468

Chemical Property of 2-Morpholin-4-YL-4-phenyl-thiazole-5-carboxylic acid ethyl ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.585
• Boiling Point: 502.209 °C at 760 mmHg
• Flash Point: 257.527 °C
• PSA: 79.90000
• Density: 1.248 g/cm³
• LogP: 2.88840
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 318.10381361
• Heavy Atom Count: 22
• Complexity: 370

Purity/Quality:

98%min ^*data from raw suppliers

2-MORPHOLIN-4-YL-4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N=C(S1)N2CCOCC2)C3=CC=CC=C3

Technology Process of 2-Morpholin-4-YL-4-phenyl-thiazole-5-carboxylic acid ethyl ester

There total 4 articles about 2-Morpholin-4-YL-4-phenyl-thiazole-5-carboxylic acid ethyl ester 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: 52.0%

morpholine (110-91-8,99108-56-2) + Benzoyl isothiocyanate (532-55-8) + acetylenedicarboxylic acid diethyl ester (762-21-0) → ethyl 2-(morpholin-4-yl)-4-phenylthiazole-5-carboxylate (55040-86-3)

Guidance literature:

With porcine pancreas trypsin; In ethanol; at 45 ℃; for 7h; Enzymatic reaction;

DOI:10.3390/molecules181113425

Reference yield:

N-(morpholinothiocarbonyl)benzamide (40398-30-9) + ethyl bromoacetate (105-36-2) → ethyl 2-(morpholin-4-yl)-4-phenylthiazole-5-carboxylate (55040-86-3)

Guidance literature:

With TEA; In ethanol; at 20 ℃;

DOI:10.1016/j.bmc.2019.115090

Reference yield:

N-(morpholinothiocarbonyl)benzamide (40398-30-9) → ethyl 2-(morpholin-4-yl)-4-phenylthiazole-5-carboxylate (55040-86-3)

Guidance literature:

With triethylamine; In ethanol; Heating;

upstream raw materials:

N-(morpholinothiocarbonyl)benzamide

morpholine

Benzoyl isothiocyanate

acetylenedicarboxylic acid diethyl ester

Downstream raw materials:

2-(morpholin-4-yl)-4-phenylthiazole-5-carbaldehyde

Refernces

• 1、 Zheng, Hui,Mei, Yi-Jia,Du, Kui,Cao, Xian-Ting,Zhang, Peng-Fei. "One-pot chemoenzymatic multicomponent synthesis of thiazole derivatives". . p. 13425 - 13433. Retrieved 2014/01/06.