3,6-Diiodopyridazine

Base Information

• Chemical Name: 3,6-Diiodopyridazine
• CAS No.: 20698-04-8
• Molecular Formula: C4H2I2N2
• Molecular Weight: 331.882
• Hs Code.: 2933990090
• European Community (EC) Number: 623-189-7
• NSC Number: 69818
• DSSTox Substance ID: DTXSID40290589
• Nikkaji Number: J641.241F
• Wikidata: Q72467248
• Mol file: 20698-04-8.mol

Synonyms:3,6-diiodopyridazine;20698-04-8;Pyridazine, 3,6-diiodo-;MFCD01004249;NSC 69818;NSC69818;3,6-Diiodo-pyridazine;3,6-Diiodopyridazine, 97%;SCHEMBL255651;DTXSID40290589;GCLHXKPPHRIJOE-UHFFFAOYSA-N;AMY24765;NSC-69818;AKOS005073140;KC-0724;AC-23060;SY041701;A4497;CS-0028767;FT-0651692;EN300-697250;J-511405

Chemical Property of 3,6-Diiodopyridazine

Chemical Property:

• Vapor Pressure: 1.06E-05mmHg at 25°C
• Melting Point: 170-172ºC
• Refractive Index: 1.736
• Boiling Point: 382.185 °C at 760 mmHg
• PKA: -0.80±0.10(Predicted)
• Flash Point: 184.939 °C
• PSA: 25.78000
• Density: 2.765 g/cm³
• LogP: 1.68580
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 331.83074
• Heavy Atom Count: 8
• Complexity: 68.4

Purity/Quality:

99% ^*data from raw suppliers

3,6-Diiodopyridazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=NN=C1I)I
• Uses: 3,6-Diiodopyridazine is used as a reactant in the preparation of conjugated ethynyl and vinylpyridazines as rod-like conjugated molecules with light-emitting properties.

Technology Process of 3,6-Diiodopyridazine

There total 2 articles about 3,6-Diiodopyridazine 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: 99.0%

3,6-dichlorpyridazine (141-30-0) → 3,6-diiodopyridazine (20698-04-8)

Guidance literature:

With hydrogen iodide; sodium iodide; In acetone; at 80 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.tet.2015.07.063

Reference yield:

→ 3,6-diiodopyridazine (20698-04-8)

Guidance literature:

3,6-Dichlorpyridazin, konz. HI, rot. Phosphor (Kochen; Ausb. 87percent);

Reference yield: 94.5%

3,6-diiodopyridazine (20698-04-8) + phenol (108-95-2,27073-41-2) → 3-iodo-6-phenoxy-pyridazine (1033705-98-4)

Guidance literature:

phenol; With potassium carbonate; In acetonitrile; for 0.25h; Heating / reflux;

3,6-diiodopyridazine; In acetonitrile; for 24h; Heating / reflux;

upstream raw materials:

3,6-dichlorpyridazine

Downstream raw materials:

3,6-bis(phenylethynyl)pyridazine

3-methoxy-6-iodopyridazine

3-Fluoro-6-iodopyridazine

3-iodo-6-(4-methoxy-phenylsulfanyl)-pyridazine

Refernces

• 1、 Soth, Michael J.,Le, Kang,Di Francesco, Maria Emilia,Hamilton, Matthew M.,Liu, Gang,Burke, Jason P.,Carroll, Chris L.,Kovacs, Jeffrey J.,Bardenhagen, Jennifer P.,Bristow, Christopher A.,Cardozo, Mario,Czako, Barbara,De Stanchina, Elisa,Feng, Ningping,Garvey, Jill R.,Gay, Jason P.,Do, Mary K. Geck,Greer, Jennifer,Han, Michelle,Harris, Angela,Herrera, Zachary,Huang, Sha,Giuliani, Virginia,Jiang, Yongying,Johnson, Sarah B.,Johnson, Troy A.,Kang, Zhijun,Leonard, Paul G.,Liu, Zhen,McAfoos, Timothy,Miller, Meredith,Morlacchi, Pietro,Mullinax, Robert A.,Palmer, Wylie S.,Pang, Jihai,Rogers, Norma,Rudin, Charles M.,Shepard, Hannah E.,Spencer, Nakia D.,Theroff, Jay,Wu, Qi,Xu, Alan,Yau, Ju Anne,Draetta, Giulio,Toniatti, Carlo,Heffernan, Timothy P.,Jones, Philip. "Discovery of IPN60090, a Clinical Stage Selective Glutaminase-1 (GLS-1) Inhibitor with Excellent Pharmacokinetic and Physicochemical Properties". . p. 12957 - 12977. Retrieved 2020/11/13.
• 2、 -. "TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE". Paragraph 1259-1260. . Retrieved 2018/05/24.