2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-4-(4-methylphenyl)-5-thiazoleacetic acid

Base Information

• Chemical Name: 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-4-(4-methylphenyl)-5-thiazoleacetic acid
• CAS No.: 116759-28-5
• Molecular Formula: C₂₁H₁₇NO₄S
• Molecular Weight: 379.436
• Wikidata: Q76390015
• Mol file: 116759-28-5.mol

Synonyms:2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-4-(4-methylphenyl)-5-thiazoleacetic acid;5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-methylphenyl)-;116759-28-5;LS-150657

Chemical Property of 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-4-(4-methylphenyl)-5-thiazoleacetic acid

Chemical Property:

• Vapor Pressure: 8.85E-17mmHg at 25°C
• Boiling Point: 630.8°C at 760 mmHg
• Flash Point: 335.3°C
• Density: 1.377g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 379.08782920
• Heavy Atom Count: 27
• Complexity: 548

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=C(SC(=N2)C=CC3=CC4=C(C=C3)OCO4)CC(=O)O
• Isomeric SMILES: CC1=CC=C(C=C1)C2=C(SC(=N2)/C=C/C3=CC4=C(C=C3)OCO4)CC(=O)O

Technology Process of 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-4-(4-methylphenyl)-5-thiazoleacetic acid

There total 3 articles about 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-4-(4-methylphenyl)-5-thiazoleacetic acid 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:

[2-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-4-p-tolyl-thiazol-5-yl]-acetic acid ethyl ester → [2-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-4-p-tolyl-thiazol-5-yl]-acetic acid (116759-28-5)

Guidance literature:

With potassium hydroxide; In ethanol; water; at 50 ℃; for 1h; Yield given;

Reference yield:

3-bromo-4-(4-methylphenyl)-4-oxobutanoic acid (53515-23-4) → [2-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-4-p-tolyl-thiazol-5-yl]-acetic acid (116759-28-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 3 h / Heating

2: KOH / ethanol; H₂O / 1 h / 50 °C

With potassium hydroxide; In ethanol; water;

Reference yield:

(E)-3-Benzo[1,3]dioxol-5-yl-thioacrylamide (99661-62-8) → [2-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-4-p-tolyl-thiazol-5-yl]-acetic acid (116759-28-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 3 h / Heating

2: KOH / ethanol; H₂O / 1 h / 50 °C

With potassium hydroxide; In ethanol; water;

upstream raw materials:

3-bromo-4-(4-methylphenyl)-4-oxobutanoic acid

(E)-3-Benzo[1,3]dioxol-5-yl-thioacrylamide