5-(4-Bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-amine

Base Information

• Chemical Name: 5-(4-Bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-amine
• CAS No.: 299937-74-9
• Molecular Formula: C8H5BrFN3S
• Molecular Weight: 274.11
• DSSTox Substance ID: DTXSID90589672
• Wikidata: Q82483177
• Mol file: 299937-74-9.mol

Synonyms:5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-amine;299937-74-9;C8H5BrFN3S;SCHEMBL2900159;DTXSID90589672;CSJYTTRMHZPUTO-UHFFFAOYSA-N;MFCD09999212;AKOS000225068;AM85010;DS-0378;CS-0124529;EN300-72818;5-(4-bromo-2-fluoro-phenyl)-1,3,4-thiadiazol-2-amine;5-(4-Bromo-2-fluorophenyl)-1 pound not3 pound not4-thiadiazol-2-amine

Chemical Property of 5-(4-Bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-amine

Chemical Property:

• PSA: 80.04000
• LogP: 3.27010
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 272.93716
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

5-(4-Bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)F)C2=NN=C(S2)N

Technology Process of 5-(4-Bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-amine

There total 4 articles about 5-(4-Bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-amine 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-(4-bromo-2-fluorobenzoyl)-hydrazinecarbothioamide → 5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-amine (299937-74-9)

Guidance literature:

With sulfuric acid; at 110 ℃; for 2h;

Reference yield:

4-bromo-6-fluorobenzonitrile (105942-08-3) + thiosemicarbazide (79-19-6) → 5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-amine (299937-74-9)

Guidance literature:

With trifluoroacetic acid; for 15h; Heating / reflux;

Reference yield:

2-fluoro-4-bromobenzoic acid (112704-79-7) → 5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-amine (299937-74-9)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride / 1 h / 70 °C

2: tetrahydrofuran / 1 h / 20 °C

3: sulfuric acid / 2 h / 110 °C

With thionyl chloride; sulfuric acid; In tetrahydrofuran;

upstream raw materials:

4-bromo-6-fluorobenzonitrile

thiosemicarbazide

2-fluoro-4-bromobenzoic acid

4-bromo-2-fluorobenzoyl chloride

Downstream raw materials:

N-[5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide

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