2,2'-Diamino-4,4'-bithiazole

Base Information

• Chemical Name: 2,2'-Diamino-4,4'-bithiazole
• CAS No.: 58139-59-6
• Molecular Formula: C6H6N4S2
• Molecular Weight: 198.272
• European Community (EC) Number: 805-811-0
• DSSTox Substance ID: DTXSID2074879
• Nikkaji Number: J59.606J
• Wikidata: Q82003019
• Mol file: 58139-59-6.mol

Synonyms:2,2'-diamino-4,4'-bithiazole;DABTZ cpd

Chemical Property of 2,2'-Diamino-4,4'-bithiazole

Chemical Property:

• Melting Point: 237-240 °C (decomp)(Solv: pyridine (110-86-1))
• Boiling Point: 499.8°Cat760mmHg
• PKA: 2.84±0.10(Predicted)
• Flash Point: 256.1°C
• PSA: 135.76000
• Density: 1.59g/cm³
• LogP: 1.29120
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 198.00338856
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,2''-Diamino-4,4’-bithiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=C(S1)N)C2=CSC(=N2)N

Technology Process of 2,2'-Diamino-4,4'-bithiazole

There total 2 articles about 2,2'-Diamino-4,4'-bithiazole 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: 88.0%

thiourea (17356-08-0) + 1,4-Dibromo-butane-2,3-dione (6305-43-7) → (4,4'-bithiazole)-2,2'-diamine (58139-59-6)

Guidance literature:

In methanol; Heating;

DOI:10.1016/S0040-4039(00)00493-7

Reference yield:

urea (57-13-6) + 1,4-Dibromo-butane-2,3-dione (6305-43-7) → (4,4'-bithiazole)-2,2'-diamine (58139-59-6)

Guidance literature:

In ethanol; for 2h; Reflux;

Reference yield: 82.0%

copper(II) nitrate trihydrate + (4,4'-bithiazole)-2,2'-diamine (58139-59-6) + C16H23N3O4 → {[Cu2(N-benzoate-N'-[3-(diethylamino)propyl]oxamide)(2,2'-diamino-4,4'-bithiazole)](NO3)*H2O}n

Guidance literature:

copper(II) nitrate trihydrate; C₁₆H₂₃N₃O₄; With piperidine; In ethanol; at 20 ℃; for 0.5h;

(4,4'-bithiazole)-2,2'-diamine; In ethanol; at 59.84 ℃; for 6h;

DOI:10.1080/00958972.2015.1009452

upstream raw materials:

thiourea

1,4-Dibromo-butane-2,3-dione

urea

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