1,3,4-Thiadiazol-2-amine, 5-phenyl-N-(phenylmethyl)-

Base Information

• Chemical Name: 1,3,4-Thiadiazol-2-amine, 5-phenyl-N-(phenylmethyl)-
• CAS No.: 23282-97-5
• Molecular Formula: C15H13N3S
• Molecular Weight: 267.354
• DSSTox Substance ID: DTXSID40385020
• Nikkaji Number: J2.806.675I
• Wikidata: Q82177551
• Mol file: 23282-97-5.mol

Synonyms:N-benzyl-5-phenyl-1,3,4-thiadiazol-2-amine;23282-97-5;1,3,4-Thiadiazol-2-amine, 5-phenyl-N-(phenylmethyl)-;Oprea1_496730;DTXSID40385020;2-Phenyl-5-benzylamino-1,3,4-thiadiazole;N-benzyl-5-phenyl-1,3,4-thiadiazole-2-amine

Chemical Property of 1,3,4-Thiadiazol-2-amine, 5-phenyl-N-(phenylmethyl)-

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 267.08301860
• Heavy Atom Count: 19
• Complexity: 262

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC2=NN=C(S2)C3=CC=CC=C3

Technology Process of 1,3,4-Thiadiazol-2-amine, 5-phenyl-N-(phenylmethyl)-

There total 11 articles about 1,3,4-Thiadiazol-2-amine, 5-phenyl-N-(phenylmethyl)- 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: 92.0%

2-benzoyl-N-benzylhydrazinecarbothioamide (120811-69-0) → N-benzyl-5-phenyl-1,3,4-thiadiazole-2-amine (23282-97-5)

Guidance literature:

With triethylamine; p-toluenesulfonyl chloride; In 1-methyl-pyrrolidin-2-one; at 20 ℃; for 2h; Reagent/catalyst; Solvent; Temperature; regioselective reaction;

DOI:10.1021/jo302324r

Reference yield: 89.0%

benzyl-dithiocarbamic acid ethyl ester (1950-20-5) + benzoic acid hydrazide (613-94-5) → N-benzyl-5-phenyl-1,3,4-thiadiazole-2-amine (23282-97-5)

Guidance literature:

With water; triethylamine; for 18h; Reflux;

DOI:10.1016/j.tetlet.2009.11.100

Reference yield: 55.0%

benzaldehyde 4-benzyl-thiosemicarbazone (7701-07-7) → N-benzyl-5-phenyl-1,3,4-thiadiazole-2-amine (23282-97-5)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetonitrile; at 20 ℃; for 1h; regioselective reaction;

DOI:10.1016/j.tetlet.2016.01.083

upstream raw materials:

2-(methylsulfonyl)-5-phenyl-1,3,4-thiadiazole

benzylamine

N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

benzaldehyde 4-benzyl-thiosemicarbazone

Downstream raw materials:

N-benzyl-N-(5-phenyl-[1,3,4]thiadiazol-2-yl)-toluene-4-sulfonamide

2-benzylimino-5-phenyl-3-(toluene-4-sulfonyl)-2,3-dihydro-[1,3,4]thiadiazole

N-benzyl-N-(5-phenyl-[1,3,4]thiadiazol-2-yl)-acetamide