3(2H)-Pyridazinone, 4,5-dihydro-2-(6-methoxy-2-benzothiazolyl)-6-(4-methoxyphenyl)-

Base Information

• Chemical Name: 3(2H)-Pyridazinone, 4,5-dihydro-2-(6-methoxy-2-benzothiazolyl)-6-(4-methoxyphenyl)-
• CAS No.: 112445-61-1
• Molecular Formula: C₁₉H₁₇N₃O₃S
• Molecular Weight: 367.428
• DSSTox Substance ID: DTXSID30150042
• Wikidata: Q83015956
• Mol file: 112445-61-1.mol

Synonyms:3(2H)-Pyridazinone, 4,5-dihydro-2-(6-methoxy-2-benzothiazolyl)-6-(4-methoxyphenyl)-;4,5-Dihydro-2-(6-methoxy-2-benzothiazolyl)-6-(4-methoxyphenyl)-3(2H)-pyridazinone;112445-61-1;DTXSID30150042;LS-129897

Chemical Property of 3(2H)-Pyridazinone, 4,5-dihydro-2-(6-methoxy-2-benzothiazolyl)-6-(4-methoxyphenyl)-

Chemical Property:

• Vapor Pressure: 9.67E-12mmHg at 25°C
• Refractive Index: 1.679
• Boiling Point: 540.3°Cat760mmHg
• Flash Point: 280.6°C
• Density: 1.37g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 367.09906259
• Heavy Atom Count: 26
• Complexity: 550

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NN(C(=O)CC2)C3=NC4=C(S3)C=C(C=C4)OC

Technology Process of 3(2H)-Pyridazinone, 4,5-dihydro-2-(6-methoxy-2-benzothiazolyl)-6-(4-methoxyphenyl)-

There total 4 articles about 3(2H)-Pyridazinone, 4,5-dihydro-2-(6-methoxy-2-benzothiazolyl)-6-(4-methoxyphenyl)- 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: 97.0%

4-[(6-Methoxy-benzothiazol-2-yl)-hydrazono]-4-(4-methoxy-phenyl)-butyric acid → 2-(6-Methoxy-benzothiazol-2-yl)-6-(4-methoxy-phenyl)-4,5-dihydro-2H-pyridazin-3-one (112445-61-1)

Guidance literature:

In acetic acid; Heating;

Reference yield:

2-hydrazinyl-6-methoxybenzo[d]thiazole (20174-70-3) → 2-(6-Methoxy-benzothiazol-2-yl)-6-(4-methoxy-phenyl)-4,5-dihydro-2H-pyridazin-3-one (112445-61-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 76 percent / ethanol / Heating

2: 97 percent / acetic acid / Heating

In ethanol; acetic acid;

Reference yield:

4-(4-methoxy-phenyl)-4-oxo-butyric acid (3153-44-4) → 2-(6-Methoxy-benzothiazol-2-yl)-6-(4-methoxy-phenyl)-4,5-dihydro-2H-pyridazin-3-one (112445-61-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 76 percent / ethanol / Heating

2: 97 percent / acetic acid / Heating

In ethanol; acetic acid;

upstream raw materials:

2-hydrazinyl-6-methoxybenzo[d]thiazole

4-(4-methoxy-phenyl)-4-oxo-butyric acid