3-(5-{[(2-fluorophenyl)amino]carbonyl}-1,3,4-thiadiazol-2-yl)propanoic acid

Base Information

• Chemical Name: 3-(5-{[(2-fluorophenyl)amino]carbonyl}-1,3,4-thiadiazol-2-yl)propanoic acid
• CAS No.: 1142202-72-9
• Molecular Formula: C₁₂H₁₀FN₃O₃S
• Molecular Weight: 295.294
• Hs Code.: 2934999090
• Mol file: 1142202-72-9.mol

Synonyms:3-(5-{[(2-fluorophenyl)amino]carbonyl}-1,3,4-thiadiazol-2-yl)propanoic acid;1,3,4-thiadiazole-2-propanoic acid, 5-[[(2-fluorophenyl)amino]carbonyl]-;1,3,4-thiadiazole-2-propanoic acid, 5-[[(2-fluorophenyl)am

Chemical Property of 3-(5-{[(2-fluorophenyl)amino]carbonyl}-1,3,4-thiadiazol-2-yl)propanoic acid

Chemical Property:

• PKA: 4.08±0.10(Predicted)
• PSA: 120.42000
• Density: 1.534±0.06 g/cm3(Predicted)
• LogP: 2.01970

Purity/Quality:

97% ^*data from raw suppliers

3-(5-{[(2-Fluorophenyl)amino]carbonyl}-1,3,4-thiadiazol-2-yl)propanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(5-{[(2-fluorophenyl)amino]carbonyl}-1,3,4-thiadiazol-2-yl)propanoic acid

There total 3 articles about 3-(5-{[(2-fluorophenyl)amino]carbonyl}-1,3,4-thiadiazol-2-yl)propanoic 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: 81.0%

succinic acid anhydride (108-30-5) + 2-hydrazinyl-N-(2-(fluoromethyl)phenyl)-2-thioxoacetamide + acetic acid (64-19-7,77671-22-8) → 3-(5-{[(2-fluorophenyl)amino]carbonyl}-1,3,4-thiadiazol-2-yl)propanoic acid (1142202-72-9)

Guidance literature:

for 2h; Reflux; Inert atmosphere;

DOI:10.3109/14756366.2016.1142984

Reference yield:

2-chloro-N-(2-fluorophenyl)acetamide (347-66-0) → 3-(5-{[(2-fluorophenyl)amino]carbonyl}-1,3,4-thiadiazol-2-yl)propanoic acid (1142202-72-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sulfur; triethylamine / N,N-dimethyl-formamide / 0.5 h / Inert atmosphere

1.2: 20 °C / Inert atmosphere

2.1: hydrazine hydrate / N,N-dimethyl-formamide / 12 h / Inert atmosphere

3.1: 2 h / Reflux; Inert atmosphere

With sulfur; hydrazine hydrate; triethylamine; In N,N-dimethyl-formamide;

DOI:10.3109/14756366.2016.1142984

Reference yield:

C12H13FN2O2S → 3-(5-{[(2-fluorophenyl)amino]carbonyl}-1,3,4-thiadiazol-2-yl)propanoic acid (1142202-72-9)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate / N,N-dimethyl-formamide / 12 h / Inert atmosphere

2: 2 h / Reflux; Inert atmosphere

With hydrazine hydrate; In N,N-dimethyl-formamide;

DOI:10.3109/14756366.2016.1142984

upstream raw materials:

2-chloro-N-(2-fluorophenyl)acetamide

succinic acid anhydride

acetic acid

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