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

Base Information

• Chemical Name: 5-(3,4-Dichlorophenyl)-1,3,4-thiadiazol-2-amine
• CAS No.: 28004-64-0
• Molecular Formula: C8H5 Cl2 N3 S
• Molecular Weight: 246.12
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90339179
• Wikidata: Q82108018
• ChEMBL ID: CHEMBL1521917
• Mol file: 28004-64-0.mol

Synonyms:5-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine;28004-64-0;5-(3,4-Dichloro-phenyl)-[1,3,4]thiadiazol-2-yl-amine;2-Amino-5-[3,4-dichlorophenyl]-1,3,4-thiadiazole;Oprea1_580165;Oprea1_683789;MLS000765896;CHEMBL1521917;DTXSID90339179;HMS2665B17;BBL007647;MFCD01191258;STK827885;AKOS000225023;DS-10011;SMR000279002;CS-0157110;SR-01000436276;SR-01000436276-1;5-(3,4-Dichlorophenyl)-[1,3,4]-thiadiazol-2-ylamine;5-(3,4-Dichlorophenyl)-1,3,4-thiadiazol-2-ylamine #;5-(3,4-Dichlorophenyl)-[1,3,4]-thiadiazol-2-yl amine

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

Chemical Property:

• PSA: 80.77000
• LogP: 3.02420
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 244.9581237
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

97% ^*data from raw suppliers

5-(3,4-Dichloro-phenyl)-[1,3,4]thiadiazol-2-yl-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2=NN=C(S2)N)Cl)Cl

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

There total 5 articles about 5-(3,4-Dichlorophenyl)-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: 65.0%

3,4-dichlorobenzaldehyde thiosemicarbazone → 5-(3,4-dichloro-phenyl)-[1,3,4]thiadiazol-2-ylamine (28004-64-0)

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:

(E)-2-(3,4-dichlorobenzylidene) hydrazinecarbothioamide (6292-74-6) → 5-(3,4-dichloro-phenyl)-[1,3,4]thiadiazol-2-ylamine (28004-64-0)

Guidance literature:

With iron(III) chloride; In ethanol; for 2h; Heating;

DOI:10.1021/jm00400a003

Reference yield:

3,4-dichlorobenzohydrazide (28036-91-1) → 5-(3,4-dichloro-phenyl)-[1,3,4]thiadiazol-2-ylamine (28004-64-0)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / water

2: sulfuric acid

With hydrogenchloride; sulfuric acid; In water;

DOI:10.24820/ark.5550190.p010.175

upstream raw materials:

N₂-(3,4-dichlorobenzoyl)thiosemicarbazide

(E)-2-(3,4-dichlorobenzylidene) hydrazinecarbothioamide

3,4-dichlorobenzohydrazide

Downstream raw materials:

2-Chloro-5-(3,4-dichloro-phenyl)-[1,3,4]thiadiazole

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