5-(4-Phenylphenyl)-1,3,4-thiadiazol-2-amine

Base Information

• Chemical Name: 5-(4-Phenylphenyl)-1,3,4-thiadiazol-2-amine
• CAS No.: 70057-66-8
• Molecular Formula: C14H11N3S
• Molecular Weight: 253.327
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00395706
• Wikidata: Q82195922
• ChEMBL ID: CHEMBL4203880
• Mol file: 70057-66-8.mol

Synonyms:70057-66-8;5-(4-phenylphenyl)-1,3,4-thiadiazol-2-amine;5-([1,1'-BIPHENYL]-4-YL)-1,3,4-THIADIAZOL-2-AMINE;5-(4-Biphenylyl)-1,3,4-thiadiazol-2-amine;5-(biphenyl-4-yl)-1,3,4-thiadiazol-2-amine;MFCD02664065;SCHEMBL6538646;CHEMBL4203880;DTXSID00395706;BBL020169;STK887528;AKOS001476951;AS-38717;SY249409;5-biphenyl-4-yl-1,3,4-thiadiazol-2-amine;CS-0206749

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

Chemical Property:

• PSA: 80.77000
• LogP: 3.38440
• Storage Temp.: Room temperature.
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 253.06736854
• Heavy Atom Count: 18
• Complexity: 260

Purity/Quality:

97% ^*data from raw suppliers

5-([1,1'-Biphenyl]-4-yl)-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=C1)C2=CC=C(C=C2)C3=NN=C(S3)N

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

There total 2 articles about 5-(4-Phenylphenyl)-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: 63.0%

2-([1,1'-biphenyl]-4-ylmethylene)hydrazine-1-carbothioamide → 5-([1,1'-biphenyl]-4-yl)-1,3,4-thiadiazol-2-amine (70057-66-8)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃; for 4h; Irradiation; Sonication;

DOI:10.1002/cctc.201500304

Reference yield: 43.0%

thiosemicarbazide (79-19-6) + biphenyl-4-carboxylic acid (92-92-2) → 5-([1,1'-biphenyl]-4-yl)-1,3,4-thiadiazol-2-amine (70057-66-8)

Guidance literature:

thiosemicarbazide; biphenyl-4-carboxylic acid; With trichlorophosphate; at 75 ℃; for 0.5h;

With water; for 4h; Reflux;

DOI:10.1016/j.bmc.2014.09.039

Reference yield: 71.0%

5-([1,1'-biphenyl]-4-yl)-1,3,4-thiadiazol-2-amine (70057-66-8) + 2-bromo-2',4'-dihydroxyoacetophenone (2491-39-6) → 4-(2-(biphenyl-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzene-1,3-diol (1394893-17-4)

Guidance literature:

With N,N-dimethyl-formamide; In ethanol; Reflux;

DOI:10.1016/j.ejmech.2012.08.012

upstream raw materials:

thiosemicarbazide

biphenyl-4-carboxylic acid

Downstream raw materials:

4-(2-(biphenyl-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline

2-(2-(biphenyl-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenol

2-(biphenyl-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole

2-(biphenyl-4-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole