2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile

Base Information

• Chemical Name: 2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile
• CAS No.: 338752-84-4
• Molecular Formula: C13H10ClN3O
• Molecular Weight: 259.69
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90420733
• Nikkaji Number: J2.693.940B
• ChEMBL ID: CHEMBL1480361
• Mol file: 338752-84-4.mol

Synonyms:338752-84-4;2-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile;2-(6-Chloro-3-pyridazinyl)-2-(4-methoxyphenyl)-acetonitrile;2-(6-chloro-3-pyridazinyl)-2-(4-methoxyphenyl)acetonitrile;HMS2645M19;Oprea1_581184;MLS000696215;CHEMBL1480361;DTXSID90420733;MFCD00140696;AKOS005070584;SMR000333321;CS-0451349;5D-109;J-506163;(6-Chloropyridazin-3-yl)-(4-methoxyphenyl)acetonitrile;2-(6-Chloropyridazine-3-yl)-2-(4-methoxyphenyl)acetonitrile

Chemical Property of 2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile

Chemical Property:

• Melting Point: 130-132°C
• PSA: 58.80000
• LogP: 2.79408
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 259.0512396
• Heavy Atom Count: 18
• Complexity: 309

Purity/Quality:

98% ^*data from raw suppliers

2-(6-Chloro-3-pyridazinyl)-2-(4-methoxyphenyl)-acetonitrile >95% ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(C#N)C2=NN=C(C=C2)Cl

Technology Process of 2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile

There total 1 articles about 2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile 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: 60.0%

3,6-dichlorpyridazine (141-30-0) + p-methoxybenzylnitrile (104-47-2) → 2-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile (338752-84-4)

Guidance literature:

With sodium hydroxide; In water; dimethyl sulfoxide; at 60 ℃; for 2h;

DOI:10.3987/COM-08-11577

Reference yield: 78.0%

2-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile (338752-84-4) → C13H12ClN3O2

Guidance literature:

With sulfuric acid; for 1h; Reflux;

DOI:10.1002/jhet.1623

Reference yield:

2-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile (338752-84-4) → C17H20N4O3

Guidance literature:

Multi-step reaction with 2 steps

1: 0.17 h / 120 °C / Ionic liquid; Microwave irradiation; Green chemistry

2: sulfuric acid / 1 h / Reflux

With sulfuric acid;

DOI:10.1002/jhet.1623

upstream raw materials:

3,6-dichlorpyridazine

p-methoxybenzylnitrile

Downstream raw materials:

2-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide

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