Pyridafol

Base Information

• Chemical Name: Pyridafol
• CAS No.: 40020-01-7
• Molecular Formula: C10H7ClN2O
• Molecular Weight: 206.631
• Hs Code.: 2933990090
• European Community (EC) Number: 254-752-1
• UNII: 09L470QH6I
• DSSTox Substance ID: DTXSID3058086
• Nikkaji Number: J227.467A
• Wikidata: Q22808826
• Mol file: 40020-01-7.mol

Synonyms:3-phenyl-4-hydroxy-6-chloropyridazine;CL 9673;CL-9673;CL9673

Chemical Property of Pyridafol

Chemical Property:

• Vapor Pressure: 0.000441mmHg at 25°C
• Melting Point: approximate 207℃(decomposition)
• Boiling Point: 315.3°Cat760mmHg
• PKA: 5.60±0.28(Predicted)
• Flash Point: 144.5°C
• PSA: 46.01000
• Density: 1.35g/cm³
• LogP: 2.50260
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 206.0246905
• Heavy Atom Count: 14
• Complexity: 303

Purity/Quality:

98%Min ^*data from raw suppliers

Pyridafol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NNC(=CC2=O)Cl
• Uses: Pyridafol is present in fungicide, herbicide and pesticide mixtures used to treat weed growth among agriculture.

Technology Process of Pyridafol

There total 7 articles about Pyridafol 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: 32.0%

sodium tert-butyl thiolate (29364-29-2) + 3-chloro-5-methoxy-6-phenylpyridazine (40020-02-8) → 3-t-butylthio-5-methoxy-6-phenylpyridazine (121105-92-8) + 6-chloro-3-phenylpyridazin-4-ol (40020-01-7)

Guidance literature:

In isopropyl alcohol; for 1h; Heating;

Reference yield:

leucoindigo (6537-68-4) → leucoindigo (894-86-0)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.5h;

Reference yield:

1H,1H'-2,2'-Biindolylidene-3,3'-dione (482-89-3,12626-73-2) → leucoindigo (894-86-0)

Guidance literature:

Multi-step reaction with 2 steps

1: zinc / ethanol / 2 h / 80 °C

2: sodium hydride / tetrahydrofuran / 0.5 h / 0 °C

With sodium hydride; zinc; In tetrahydrofuran; ethanol;

upstream raw materials:

sodium tert-butyl thiolate

3-chloro-5-methoxy-6-phenylpyridazine

leucoindigo

1H,1H'-2,2'-Biindolylidene-3,3'-dione

Downstream raw materials:

1-cyano-3-phenyl-6-chloropyridazin-4-one

4,6-dibromo-3-phenyl-pyridazine

O-[3-phenyl-6-chloro-4-pyridazinyl]S-isopropyl thiocarbonate

O-[3-phenyl-6-chloro-4-pyridazinyl]S-ethyl thiocarbonate

Refernces

• 1、 Rondao, Raquel,Sergio Seixas de Melo,Voss, Gundula. "Characterization of the excited states of indigo derivatives in their reduced forms". . p. 1903 - 1908. Retrieved 2010.
• 2、 Olesen, Preben H.,Kappe, Thomas. "Pyridazines with Heteroatom Substituents in Position 3 and 5. 2 . Regioselective Introduction of Mercapto Groups in Pyridazines". . p. 1719 - 1723. Retrieved 2007/10/02.