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3-Iodocinnoline

Base Information Edit
  • Chemical Name:3-Iodocinnoline
  • CAS No.:82453-00-7
  • Molecular Formula:C8H5IN2
  • Molecular Weight:256.04300
  • Hs Code.:
  • DSSTox Substance ID:DTXSID801316852
  • Mol file:82453-00-7.mol
3-Iodocinnoline

Synonyms:3-Iodocinnoline;82453-00-7;CID 12908769;SCHEMBL19001490;DTXSID801316852

Suppliers and Price of 3-Iodocinnoline
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
Total 0 raw suppliers
Chemical Property of 3-Iodocinnoline Edit
Chemical Property:
  • Melting Point:109 °C 
  • Boiling Point:349.3±34.0 °C(Predicted) 
  • PKA:1.04±0.10(Predicted) 
  • PSA:25.78000 
  • Density:1.938±0.06 g/cm3(Predicted) 
  • LogP:2.23440 
  • XLogP3:1.9
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:0
  • Exact Mass:255.94975
  • Heavy Atom Count:11
  • Complexity:140
Purity/Quality:
Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:
Useful:
  • Canonical SMILES:C1=CC=C2C(=C1)C=C(N=N2)I
Technology Process of 3-Iodocinnoline

There total 4 articles about 3-Iodocinnoline 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:
Guidance literature:
With toluene-4-sulfonic acid hydrazide; In chloroform; RT, 1 week, then reflux 1.5 h;
DOI:10.1016/0040-4020(82)80178-6
Guidance literature:
Cinnoline; With boron trifluoride diethyl etherate; In tetrahydrofuran; at 0 ℃; for 0.25h; Inert atmosphere;
With bis(2,2,6,6-tetramethylpiperidin-1-yl)magnesium-bis(lithium chloride) complex; In tetrahydrofuran; at -78 ℃; for 0.0833333h; Inert atmosphere;
With iodine; In tetrahydrofuran; at -78 - 25 ℃; regioselective reaction; Inert atmosphere;
DOI:10.1021/ol5001999
Guidance literature:
Multi-step reaction with 3 steps
1: 95 percent / iodine monochloride, NaOAc / acetic acid / 100 °C
2: 84 percent / POCl3 / 0.17 h / 140 °C
3: 72 percent / toluene-p-sulphonylhydrazine / CHCl3 / RT, 1 week, then reflux 1.5 h
With sodium acetate; Iodine monochloride; toluene-4-sulfonic acid hydrazide; trichlorophosphate; In chloroform; acetic acid;
DOI:10.1016/0040-4020(82)80178-6
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