2-(3-Fluorophenyl)ethanethioamide

Base Information

• Chemical Name: 2-(3-Fluorophenyl)ethanethioamide
• CAS No.: 834861-71-1
• Molecular Formula: C₈H₈FNS
• Molecular Weight: 169.223
• European Community (EC) Number: 959-573-9

Synonyms:2-(3-FLUOROPHENYL)ETHANETHIOAMIDE;834861-71-1;SCHEMBL6896362;AKOS000155621;CS-0232786;EN300-128709;A1-45569

Chemical Property of 2-(3-Fluorophenyl)ethanethioamide

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 169.03614860
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)CC(=S)N

Technology Process of 2-(3-Fluorophenyl)ethanethioamide

There total 1 articles about 2-(3-Fluorophenyl)ethanethioamide 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: 43.5%

3-fluorophenylacetonitrile (501-00-8) → 2-(3-fluorophenyl)thioacetamide (834861-71-1)

Guidance literature:

With pyridine; hydrogen sulfide; triethylamine; at 20 ℃;

DOI:10.1016/S0014-827X(99)00060-9

Reference yield: 57.4%

2-(4-bromo-3-oxobutyl)isoindoline-1,3-dione (51132-00-4) + 2-(3-fluorophenyl)thioacetamide (834861-71-1) → 2-{2-[2-(3-fluoro-benzyl)-thiazol-4-yl]-ethyl}-isoindole-1,3-dione (250258-68-5)

Guidance literature:

With hydrogenchloride; water; In propan-1-ol; for 2h; Heating;

DOI:10.1016/S0014-827X(99)00060-9

Reference yield:

ethyl 2-chloro-3-oxopropanoate (33142-21-1) + 2-(3-fluorophenyl)thioacetamide (834861-71-1) → ethyl 2-[(3-fluorophenyl)methyl]thiazole-5-carboxylate

Guidance literature:

In 1,4-dioxane; at 100 ℃; for 21h;

upstream raw materials:

3-fluorophenylacetonitrile

Downstream raw materials:

2-{2-[2-(3-fluoro-benzyl)-thiazol-4-yl]-ethyl}-isoindole-1,3-dione

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