Thiazolo[5,4-d]thiazole

Base Information

• Chemical Name: Thiazolo[5,4-d]thiazole
• CAS No.: 251-56-9
• Molecular Formula: C4H2N2S2
• Molecular Weight: 142.205
• DSSTox Substance ID: DTXSID00402924
• Nikkaji Number: J935.192B
• Wikidata: Q82206448
• Mol file: 251-56-9.mol

Synonyms:Thiazolo[5,4-d]thiazole;251-56-9;[1,3]thiazolo[5,4-d][1,3]thiazole;SCHEMBL622901;DTXSID00402924;AKOS006276156;FT-0700059;EN300-119120

Chemical Property of Thiazolo[5,4-d]thiazole

Chemical Property:

• Melting Point: 149-150 °C
• Boiling Point: 241.0±13.0 °C(Predicted)
• PKA: -0.98±0.40(Predicted)
• PSA: 82.26000
• Density: 1.598±0.06 g/cm3(Predicted)
• LogP: 1.75280
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 141.96594042
• Heavy Atom Count: 8
• Complexity: 86

Purity/Quality:

99%, ^*data from raw suppliers

THIAZOLO[5,4-D]THIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=C(S1)N=CS2

Technology Process of Thiazolo[5,4-d]thiazole

There total 3 articles about Thiazolo[5,4-d]thiazole 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: 79.0%

thiazolo<5,4-d>thiazole-2,5-dicarboxylic acid (27492-59-7) → thiazolo[5,4-d]thiazole (251-56-9)

Guidance literature:

With ethanol; for 24h; Heating;

DOI:10.1002/jhet.5570450328

Reference yield: 75.0%

diethyl thiazolo[5,4-d]thiazole-2,5-dicarboxylate (27484-49-7) → thiazolo[5,4-d]thiazole (251-56-9)

Guidance literature:

With potassium hydroxide; In ethanol; for 8h; Heating;

Reference yield: 52.0%

2,5-dichlorothiazolo[5,4-d]thiazole (50616-95-0) → thiazolo[5,4-d]thiazole (251-56-9)

Guidance literature:

With acetic acid; zinc; for 9h; Heating;

upstream raw materials:

thiazolo<5,4-d>thiazole-2,5-dicarboxylic acid

diethyl thiazolo[5,4-d]thiazole-2,5-dicarboxylate

2,5-dichlorothiazolo[5,4-d]thiazole

Downstream raw materials:

2,5-dibromothiazolo[5,4-d]thiazole

2-bromothiazolo[5,4-d]thiazole

Refernces

• 1、 Benin, Vladimir,Yeates, Alan T.,Dudis, Douglas. "Preparation of halogenated derivatives of thiazolo[5,4-d]thiazole via direct electrophilic aromatic substitution". . p. 811 - 819. Retrieved 2008/09/21.