Ethyl 2-(benzo[d][1,3]dioxol-5-yl)thiazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 2-(benzo[d][1,3]dioxol-5-yl)thiazole-4-carboxylate
• CAS No.: 248249-53-8
• Molecular Formula: C₁₃H₁₁NO₄S
• Molecular Weight: 277.301
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID30431641
• Wikidata: Q82245577
• Mol file: 248249-53-8.mol

Synonyms:248249-53-8;Ethyl 2-(benzo[d][1,3]dioxol-5-yl)thiazole-4-carboxylate;2-BENZO[1,3]DIOXOL-5-YL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;ethyl 2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxylate;Ethyl 2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxylate;SCHEMBL6609848;DTXSID30431641;MFCD06738331;AKOS008892300;AB26913;CS-0320606;A817509;W-206911

Chemical Property of Ethyl 2-(benzo[d][1,3]dioxol-5-yl)thiazole-4-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.605
• Boiling Point: 421.209°C at 760 mmHg
• Flash Point: 208.54°C
• PSA: 85.89000
• Density: 1.366g/cm³
• LogP: 2.71550
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 277.04087901
• Heavy Atom Count: 19
• Complexity: 341

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 2-(benzo[d][1,3]dioxol-5-yl)thiazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CSC(=N1)C2=CC3=C(C=C2)OCO3
• Uses: Ethyl 2-(Benzo[D][1,3]Dioxol-5-Yl)Thiazole-4-Carboxylate can be used to treat liver disease.

Technology Process of Ethyl 2-(benzo[d][1,3]dioxol-5-yl)thiazole-4-carboxylate

There total 5 articles about Ethyl 2-(benzo[d][1,3]dioxol-5-yl)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: 81.0%

ethyl (1R)-4-(benzo[3,4-d]1,3-dioxolan-5-yl)-3,5-thiazolinecarboxylate (248249-49-2) → ethyl 4-(benzo[3,4-d]1,3-dioxolan-5-yl)-3,5-thiazole carboxylate (248249-53-8)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 0 ℃; for 6h;

Reference yield: 81.0%

6-(2-((2-pyridyl)methoxy)-2-azavinyl)-4-methoxybenzo [d]1,3-dioxolane → ethyl 4-(benzo[3,4-d]1,3-dioxolan-5-yl)-3,5-thiazole carboxylate (248249-53-8)

Guidance literature:

In hexane; dichloromethane;

Reference yield:

ethyl benzo[d][1,3]dioxole-5-carbimidate (55308-42-4) → ethyl 4-(benzo[3,4-d]1,3-dioxolan-5-yl)-3,5-thiazole carboxylate (248249-53-8)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 24 h / 20 °C

2: manganese(IV) oxide / dichloromethane / 6 h / 0 °C

With manganese(IV) oxide; In ethanol; dichloromethane;

upstream raw materials:

ethyl (1R)-4-(benzo[3,4-d]1,3-dioxolan-5-yl)-3,5-thiazolinecarboxylate

ethyl benzo[d][1,3]dioxole-5-carbimidate

piperonylonitrile

piperonal oxime

Downstream raw materials:

2-(benzo[3,4-d]1,3-dioxolan-5-yl)-4-hydroxymethyl-1,3-thiazole