Ethyl 2-(diethoxymethyl)thiazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 2-(diethoxymethyl)thiazole-4-carboxylate
• CAS No.: 73956-16-8
• Molecular Formula: C11H17NO4S
• Molecular Weight: 259.32200
• DSSTox Substance ID: DTXSID70585293
• Nikkaji Number: J2.267.102B
• Wikidata: Q82477201
• Mol file: 73956-16-8.mol

Synonyms:73956-16-8;ethyl 2-(diethoxymethyl)thiazole-4-carboxylate;Ethyl 2-(diethoxymethyl)-1,3-thiazole-4-carboxylate;2-DIETHOXYMETHYL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;4-Thiazolecarboxylic acid, 2-(diethoxymethyl)-, ethyl ester;SCHEMBL1059446;DTXSID70585293;PPORIIMLVGSHLO-UHFFFAOYSA-N;YCA95616;BP-20427;CS-0158742;ethyl2-(diethoxymethyl)thiazole-4-carboxylate;2-(Diethoxymethyl)-4-thiazolecarboxylic acid ethyl ester;Ethyl 2-[bis(ethyloxy)methyl]-1,3-thiazole-4-carboxylate

Chemical Property of Ethyl 2-(diethoxymethyl)thiazole-4-carboxylate

Chemical Property:

• Melting Point: 70-72 °C
• Boiling Point: 316.0±37.0 °C(Predicted)
• PKA: 0.07±0.10(Predicted)
• PSA: 85.89000
• Density: 1.166±0.06 g/cm3(Predicted)
• LogP: 2.39140
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 259.08782920
• Heavy Atom Count: 17
• Complexity: 234

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 2-(diethoxymethyl)thiazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C1=NC(=CS1)C(=O)OCC)OCC

Technology Process of Ethyl 2-(diethoxymethyl)thiazole-4-carboxylate

There total 10 articles about Ethyl 2-(diethoxymethyl)thiazole-4-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: 100.0%

ethyl Bromopyruvate (70-23-5) + 2,2-diethoxythioacetamide (73956-15-7) → ethyl 2-(diethoxymethyl)-1,3-thiazole-4-carboxylate (73956-16-8)

Guidance literature:

With 3 A molecular sieve; In ethanol; for 0.5h; Heating;

DOI:10.1246/bcsj.58.352

Reference yield: 99.0%

ethyl 2-(diethoxymethyl)-2-thiazoline-4-carboxylate (1372541-86-0) → ethyl 2-(diethoxymethyl)-1,3-thiazole-4-carboxylate (73956-16-8)

Guidance literature:

With Bromotrichloromethane; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 0 ℃; for 1.16667h;

DOI:10.1080/00397911.2011.552834

Reference yield: 93.0%

2,2-diethoxyethanethioamide (1378905-89-5) + ethyl Bromopyruvate (70-23-5) → ethyl 2-(diethoxymethyl)-1,3-thiazole-4-carboxylate (73956-16-8)

Guidance literature:

2,2-diethoxyethanethioamide; ethyl Bromopyruvate; In ethanol; for 0.75h; Molecular sieve; Heating / reflux;

With water; sodium hydrogencarbonate; In ethyl acetate;

upstream raw materials:

ethyl Bromopyruvate

2,2-diethoxythioacetamide

2,2-diethoxyethanethioamide

2,2-diethoxyacetonitrile

Downstream raw materials:

N-benzyl-C-[4-(aminocarbonyl)-2-thiazolyl]nitrone

N-benzyl-C-[4-(ethoxycarbonyl)-2-thiazolyl]nitrone

ethyl 2-((3R,5S)-2-benzyl-5-(hydroxymethyl)isoxazolidin-3-yl)thiazole-4-carboxylate

ethyl 2-((3S,5R)-2-benzyl-5-(hydroxymethyl)isoxazolidin-3-yl)thiazole-4-carboxylate