4,4'-Dinonyl-2,2'-bithiazole

Base Information

• Chemical Name: 4,4'-Dinonyl-2,2'-bithiazole
• CAS No.: 180729-91-3
• Molecular Formula: C24H40N2S2
• Molecular Weight: 421
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID90598825
• Nikkaji Number: J1.162.343C
• Wikidata: Q72472589
• Mol file: 180729-91-3.mol

Synonyms:4,4'-Dinonyl-2,2'-bithiazole;180729-91-3;4-NONYL-2-(4-NONYL-1,3-THIAZOL-2-YL)-1,3-THIAZOLE;2,2'-Bithiazole, 4,4'-dinonyl-;4,4/'-Dinonyl-2,2/'-bithiazole;SCHEMBL8937080;DTXSID90598825;MFCD27923057;4,4'-Dinonyl-2,2'-bi-1,3-thiazole;D4559;D90302

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

Chemical Property:

• Melting Point: 59-61℃
• Boiling Point: 533.4±48.0 °C(Predicted)
• PKA: 1.12±0.10(Predicted)
• PSA: 82.26000
• Density: 1.009
• LogP: 8.85280
• Storage Temp.: 2-8°C
• XLogP3: 10.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 17
• Exact Mass: 420.26329163
• Heavy Atom Count: 28
• Complexity: 333

Purity/Quality:

97% ^*data from raw suppliers

4,4'-Dinonyl-2,2'-bithiazole >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC1=CSC(=N1)C2=NC(=CS2)CCCCCCCCC

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

There total 2 articles about 4,4'-Dinonyl-2,2'-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: 89.0%

1-bromo-undecan-2-one (73121-60-5) + dithiooxamide (79-40-3) → 4,4'-dinonyl-2,2'-bithiazole (180729-91-3)

Guidance literature:

In ethanol; for 6h; Heating;

DOI:10.1021/ja074959z

Reference yield:

methyl nonyl ketone (112-12-9) → 4,4'-dinonyl-2,2'-bithiazole (180729-91-3)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine / methanol / Inert atmosphere; Schlenk technique

2: ethanol / Inert atmosphere; Schlenk technique

With bromine; In methanol; ethanol; 2: |Hantzsch Thiazole Synthesis;

DOI:10.1016/j.dyepig.2012.10.002

upstream raw materials:

1-bromo-undecan-2-one

dithiooxamide

methyl nonyl ketone