2,2'-Dithiobis(5-ethoxy-7-fluoro(1,2,4)triazolo(1,5-C)pyrimidine)

Base Information

• Chemical Name: 2,2'-Dithiobis(5-ethoxy-7-fluoro(1,2,4)triazolo(1,5-C)pyrimidine)
• CAS No.: 166524-75-0
• Molecular Formula: C14H12 F2 N8 O2 S2
• Molecular Weight: 426.42
• European Community (EC) Number: 695-187-4
• DSSTox Substance ID: DTXSID801045055
• Mol file: 166524-75-0.mol

Synonyms:166524-75-0;2,2'-Dithiobis(5-ethoxy-7-fluoro(1,2,4)triazolo(1,5-C)pyrimidine);EC 695-187-4;5-ethoxy-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)disulfanyl]-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine;2,2'-Dithiobis(5-ethoxy-7-fluoro[1,2,4]triazol0[1,5-c]pyrimidine);2,2'-Dithiobis[5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine];SCHEMBL8103044;DTXSID801045055;NS00001307

Chemical Property of 2,2'-Dithiobis(5-ethoxy-7-fluoro(1,2,4)triazolo(1,5-C)pyrimidine)

Chemical Property:

• PKA: -1.72±0.30(Predicted)
• PSA: 155.22000
• Density: 1.77±0.1 g/cm3(Predicted)
• LogP: 2.43700
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 426.04927033
• Heavy Atom Count: 28
• Complexity: 488

Purity/Quality:

99.9% ^*data from raw suppliers

2,2'- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=NC(=CC2=NC(=NN21)SSC3=NN4C(=N3)C=C(N=C4OCC)F)F

Technology Process of 2,2'-Dithiobis(5-ethoxy-7-fluoro(1,2,4)triazolo(1,5-C)pyrimidine)

There total 4 articles about 2,2'-Dithiobis(5-ethoxy-7-fluoro(1,2,4)triazolo(1,5-C)pyrimidine) 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:

5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2(3H)-thione (166524-72-7) → 2,2’-dithiobis(5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine) (166524-75-0)

Guidance literature:

With dihydrogen peroxide; In water; acetonitrile;

Reference yield:

5-Ethoxy-7-fluoro-1,2,4-triazolo[4,3-c]pyrimidine-3(2H)-thione (166524-68-1) → 2,2’-dithiobis(5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine) (166524-75-0)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide; sodium ethanolate; In ethanol; water; toluene;

Reference yield:

→ 2-chlorosulfonyl-7-fluoro-5-ethoxy[1,2,4]triazolo[1,5-c]-pyrimidine (147150-77-4) + 2,2’-dithiobis(5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine) (166524-75-0)

Guidance literature:

upstream raw materials:

5-Ethoxy-7-fluoro-1,2,4-triazolo[4,3-c]pyrimidine-3(2H)-thione

5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2(3H)-thione

Downstream raw materials:

N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-1,2,4-triazolo(1,5-c)-pyrimidine-2-sulfonamide