4,5-Dibromo-2-[(4-chlorophenyl)methyl]-3(2H)-pyridazinone

Base Information

• Chemical Name: 4,5-Dibromo-2-[(4-chlorophenyl)methyl]-3(2H)-pyridazinone
• CAS No.: 134965-40-5
• Molecular Formula: C₁₁H₇Br₂ClN₂O
• Molecular Weight: 378.45
• DSSTox Substance ID: DTXSID101197423

Synonyms:134965-40-5;4,5-Dibromo-2-[(4-chlorophenyl)methyl]-3(2H)-pyridazinone;DTXSID101197423;AKOS009119774

Chemical Property of 4,5-Dibromo-2-[(4-chlorophenyl)methyl]-3(2H)-pyridazinone

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 377.85932
• Heavy Atom Count: 17
• Complexity: 376

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN2C(=O)C(=C(C=N2)Br)Br)Cl

Technology Process of 4,5-Dibromo-2-[(4-chlorophenyl)methyl]-3(2H)-pyridazinone

There total 1 articles about 4,5-Dibromo-2-[(4-chlorophenyl)methyl]-3(2H)-pyridazinone 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: 79.0%

4,5-dibromo-3(2H)pyridazinone (5788-58-9) + 1-Chloro-4-(chloromethyl)benzene (104-83-6) → 4,5-dibromo-2-(4-chloro-benzyl)-2H-pyridazin-3-one (134965-40-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 1h;

Reference yield: 67.0%

(1-carbamimidoyl-piperidin-3-yl)-carbamic acid tert-butyl ester hydrochloride + 4,5-dibromo-2-(4-chloro-benzyl)-2H-pyridazin-3-one (134965-40-5) → (1-{N-[5-bromo-1-(4-chloro-benzyl)-6-oxo-1,6-dihydro-pyridazin-4-yl]-carbamimidoyl}-piperidin-3-yl)-carbamic acid tert-butyl ester (851608-43-0)

Guidance literature:

With potassium carbonate; In water; N,N-dimethyl-formamide; at 65 ℃; for 18h;

DOI:10.1021/ol0504751

Reference yield: 59.0%

4,5-dibromo-2-(4-chloro-benzyl)-2H-pyridazin-3-one (134965-40-5) + methylhydrazine (60-34-4) → 4-bromo-2-(p-chlorobenzyl)-5-(1-methylhydrazino)pyridazin-3(2H)-one (134965-41-6)

Guidance literature:

In methanol; for 6h; Ambient temperature;

upstream raw materials:

4,5-dibromo-3(2H)pyridazinone

1-Chloro-4-(chloromethyl)benzene

Downstream raw materials:

4-bromo-2-(p-chlorobenzyl)-5-(1-methylhydrazino)pyridazin-3(2H)-one

(1-{N-[5-bromo-1-(4-chloro-benzyl)-6-oxo-1,6-dihydro-pyridazin-4-yl]-carbamimidoyl}-piperidin-3-yl)-carbamic acid tert-butyl ester

2-(p-chlorobenzyl)-5-(1-methylhydrazino)pyridazin-3(2H)-one

6-(4-Chloro-benzyl)-1-methyl-5-oxo-1,4,5,6-tetrahydro-pyridazino[4,5-c]pyridazine-3,4-dicarboxylic acid dimethyl ester

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