1-(3,5-Dichloro-pyridin-4-ylmethyl)-6-methoxy-4-phenyl-phthalazine

Base Information

• Chemical Name: 1-(3,5-Dichloro-pyridin-4-ylmethyl)-6-methoxy-4-phenyl-phthalazine
• CAS No.: 256442-88-3
• Molecular Formula: C21H15Cl2N3O
• Molecular Weight: 396.276
• ChEMBL ID: CHEMBL310387
• DSSTox Substance ID: DTXSID40433277
• Nikkaji Number: J2.018.271G
• Mol file: 256442-88-3.mol

Synonyms:CHEMBL310387;256442-88-3;1-(3,5-Dichloro-pyridin-4-ylmethyl)-6-methoxy-4-phenyl-phthalazine;SCHEMBL6586085;DTXSID40433277;HMTGPYRFOCPERJ-UHFFFAOYSA-N;1-[(3,5-dichloropyridin-4-yl)methyl]-6-methoxy-4-phenylphthalazine;BDBM50218580;1-(3,5-Dichloro-pyridin-4-ylmethyl)-4-phenyl-6-methoxy-phthalazine

Chemical Property of 1-(3,5-Dichloro-pyridin-4-ylmethyl)-6-methoxy-4-phenyl-phthalazine

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 395.0592175
• Heavy Atom Count: 27
• Complexity: 466

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C(=NN=C2C3=CC=CC=C3)CC4=C(C=NC=C4Cl)Cl

Technology Process of 1-(3,5-Dichloro-pyridin-4-ylmethyl)-6-methoxy-4-phenyl-phthalazine

There total 4 articles about 1-(3,5-Dichloro-pyridin-4-ylmethyl)-6-methoxy-4-phenyl-phthalazine 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: 55.0%

4-bromo-1-(3,5-dichloro-pyridin-4-ylmethyl)-6-methoxy-phthalazine (256443-82-0) → 1-(3,5-dichloro-pyridin-4-ylmethyl)-6-methoxy-4-phenyl-phthalazine (256442-88-3)

Guidance literature:

With ammonium chloride; phenyllithium; zinc(II) chloride; In tetrahydrofuran; diethyl ether; cyclohexane; ethyl acetate;

Reference yield: 55.0%

phenyllithium (591-51-5) + 4-chloro-1-(3,5-dichloropyridin-4-ylmethyl)-6-methoxyphthalazine (256443-81-9) → 1-(3,5-dichloro-pyridin-4-ylmethyl)-6-methoxy-4-phenyl-phthalazine (256442-88-3)

Guidance literature:

phenyllithium; With zinc(II) chloride; In tetrahydrofuran; at 20 ℃; for 1h;

4-chloro-1-(3,5-dichloropyridin-4-ylmethyl)-6-methoxyphthalazine; With palladium diacetate; triphenylphosphine; In tetrahydrofuran; for 24h; Heating;

DOI:10.1016/S0960-894X(00)00587-4

Reference yield: 47.3%

3,5-dichloro-4-picoline (100868-46-0) + 1-chloro-6-methoxy-4-phenyl-phthalazine (256443-75-1) → 1-(3,5-dichloro-pyridin-4-ylmethyl)-6-methoxy-4-phenyl-phthalazine (256442-88-3)

Guidance literature:

With NaH; In N,N-dimethyl-formamide;

upstream raw materials:

phenyllithium

4-chloro-1-(3,5-dichloropyridin-4-ylmethyl)-6-methoxyphthalazine

1-(3,5-dichloropyridin-4-ylmethyl)-6-methoxy-2H-phthalazin-1-one

3,5-dichloro-4-picoline

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