Credazine

Base Information

• Chemical Name: Credazine
• CAS No.: 14491-59-9
• Molecular Formula: C11H10 N2 O
• Molecular Weight: 186.2099
• UNII: FD71DT6I5Z
• DSSTox Substance ID: DTXSID3074525
• Nikkaji Number: J8.506E
• Wikidata: Q27155830

Synonyms:CREDAZINE;3-(2-Methylphenoxy)pyridazine;14491-59-9;Kusakira;Pyridazine, 3-(2-methylphenoxy)-;NIA 20439;UNII-FD71DT6I5Z;SW-6701;SW-6721;BRN 0880257;FD71DT6I5Z;H-722;5-23-11-00075 (Beilstein Handbook Reference);SCHEMBL134448;Pyridazine, 3-(o-tolyloxy)-;DTXSID3074525;CHEBI:82237;PYRIDAZIN-3-YL O-TOLYL ETHER;AKOS040751316;LS-129604;C19116;Q27155830

Chemical Property of Credazine

Chemical Property:

• Vapor Pressure: 0.00023mmHg at 25°C
• Boiling Point: 335.6°C at 760 mmHg
• Flash Point: 122.8°C
• Density: 1.144g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 186.079312947
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1OC2=NN=CC=C2

Technology Process of Credazine

There total 2 articles about Credazine 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: 93.0%

ortho-cresol (95-48-7,77504-84-8) + 3-Iodopyridazine (65202-53-1) → 3-(2-methylphenoxy)-pyridazine (14491-59-9)

Guidance literature:

With potassium phosphate; palladium diacetate; tert-butyl XPhos; In toluene; at 100 ℃; for 14h; Inert atmosphere;

DOI:10.1002/anie.201903839

Reference yield:

→ 3-(2-methylphenoxy)-pyridazine (14491-59-9)

Guidance literature:

entsprech. 6-Chlorpyridazin, Pd/H2;

Reference yield: 29.4%

3-(2-methylphenoxy)-pyridazine (14491-59-9) → 4,5-Dichloro-3-(2-methylphenoxy)pyridazine (499234-70-7) + 5-chloro-3-(2-methylphenoxy)pyridazine (499236-51-0) + 4-chloro-3-(2-methylphenoxy)pyridazine (499236-52-1)

Guidance literature:

With chlorine; trichlorophosphate; at 80 ℃;

upstream raw materials:

ortho-cresol

3-Iodopyridazine

Downstream raw materials:

4,5-Dichloro-3-(2-methylphenoxy)pyridazine

5-chloro-3-(2-methylphenoxy)pyridazine

4-chloro-3-(2-methylphenoxy)pyridazine

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