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

Base Information

• Chemical Name: 2-(Chloromethyl)-5-phenyl-1,3,4-thiadiazole
• CAS No.: 70390-94-2
• Molecular Formula: C9H7ClN2S
• Molecular Weight: 210.687
• Hs Code.: 2934999090
• European Community (EC) Number: 959-869-8
• DSSTox Substance ID: DTXSID00501002
• Wikidata: Q82353076
• Mol file: 70390-94-2.mol

Synonyms:2-(Chloromethyl)-5-phenyl-1,3,4-thiadiazole;70390-94-2;2-Chloromethyl-5-phenyl-[1,3,4]thiadiazole;SCHEMBL20864389;DTXSID00501002;AKOS014992447;AB72806;BB 0261677;CS-0264619;EN300-93504;F70773

Chemical Property of 2-(Chloromethyl)-5-phenyl-1,3,4-thiadiazole

Chemical Property:

• PSA: 54.02000
• LogP: 2.94390
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 210.0018471
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

2-(chloromethyl)-5-phenyl-1,3,4-thiadiazole ^*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=NN=C(S2)CCl

Technology Process of 2-(Chloromethyl)-5-phenyl-1,3,4-thiadiazole

There total 3 articles about 2-(Chloromethyl)-5-phenyl-1,3,4-thiadiazole 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: 90.0%

Ν-p-methylbenzoyl-N'-chloroacetyl (50677-24-2) → 5-phenyl-2-(chloromethyl)-1,3,4-thiadiazole (70390-94-2)

Guidance literature:

With Lawessons reagent; In toluene; at 110 ℃; for 2h;

Reference yield: 76.0%

2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole (33575-83-6) → 5-phenyl-2-(chloromethyl)-1,3,4-thiadiazole (70390-94-2)

Guidance literature:

With thiourea; In tetrahydrofuran; at 120 - 150 ℃; Sealed tube;

DOI:10.1016/j.ejmech.2011.01.063

Reference yield:

ethyl chloroacetimidate hydrochloride (36743-66-5) + thiobenzhydrazide (20605-40-7) → 5-phenyl-2-(chloromethyl)-1,3,4-thiadiazole (70390-94-2)

Guidance literature:

DOI:10.1055/s-1979-28571

upstream raw materials:

ethyl chloroacetimidate hydrochloride

thiobenzhydrazide

Ν-p-methylbenzoyl-N'-chloroacetyl

2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole

Downstream raw materials:

N-hydroxy-5-phenyl-[1,3,4]thiadiazole-2-carboximidoyl chloride

Methyl-(5-phenyl-[1,3,4]thiadiazol-2-ylmethyl)-amine

2-phenyl-1,3,4-thiadiazole-5-carbonitrile

N-hydroxy-5-phenyl-[1,3,4]thiadiazole-2-carboximidoyl azide