N-(4-(1,4,5,6-Tetrahydro-4-(hydroxymethyl)-6-oxo-3-pyridazinyl)phenyl)acetamide

Base Information

• Chemical Name: N-(4-(1,4,5,6-Tetrahydro-4-(hydroxymethyl)-6-oxo-3-pyridazinyl)phenyl)acetamide
• CAS No.: 95355-13-8
• Molecular Formula: C₁₃H₁₅N₃O₃
• Molecular Weight: 261.28
• DSSTox Substance ID: DTXSID40915023
• Mol file: 95355-13-8.mol

Synonyms:95355-13-8;N-(4-(1,4,5,6-Tetrahydro-4-(hydroxymethyl)-6-oxo-3-pyridazinyl)phenyl)acetamide;Acetamide, N-(4-(1,4,5,6-tetrahydro-4-(hydroxymethyl)-6-oxo-3-pyridazinyl)phenyl)-;N-(4-(4-(Hydroxymethyl)-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl)acetamide;SCHEMBL11046458;DTXSID40915023;N-{4-[6-Hydroxy-4-(hydroxymethyl)-4,5-dihydropyridazin-3-yl]phenyl}ethanimidic acid

Chemical Property of N-(4-(1,4,5,6-Tetrahydro-4-(hydroxymethyl)-6-oxo-3-pyridazinyl)phenyl)acetamide

Chemical Property:

• PKA: 13.31±0.60(Predicted)
• PSA: 97.77000
• Density: 1.37g/cm³
• LogP: 0.83850
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 261.11134135
• Heavy Atom Count: 19
• Complexity: 387

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)C2=NNC(=O)CC2CO

Technology Process of N-(4-(1,4,5,6-Tetrahydro-4-(hydroxymethyl)-6-oxo-3-pyridazinyl)phenyl)acetamide

There total 2 articles about N-(4-(1,4,5,6-Tetrahydro-4-(hydroxymethyl)-6-oxo-3-pyridazinyl)phenyl)acetamide 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: 63.0%

4-(4-acetylaminobenzoyl)-2(3H)-dihydrofuranone (95355-15-0) → 6-(4-Acetylaminophenyl)-5-hydroxymethyl-2,3,4,5-tetrahydro-pyridazin-3-one (95355-13-8)

Guidance literature:

With hydrazine hydrate; In ethanol; for 3h; Heating;

Reference yield:

→ 6-(4-Acetylaminophenyl)-5-hydroxymethyl-2,3,4,5-tetrahydro-pyridazin-3-one (95355-13-8)

Guidance literature:

Reference yield: 52.0%

propionyl chloride (79-03-8) + 6-(4-Acetylaminophenyl)-5-hydroxymethyl-2,3,4,5-tetrahydro-pyridazin-3-one (95355-13-8) → 6-(4-acetylaminophenyl)-5-propionyloxymethyl-4,5-dihydro-3(2H)-pyridazinone (110766-31-9)

Guidance literature:

In pyridine; 1.) 0 deg C, 1 h; 2.) 14 h;

upstream raw materials:

4-(4-acetylaminobenzoyl)-2(3H)-dihydrofuranone

Downstream raw materials:

6-(4-acetylaminophenyl)-5-propionyloxymethyl-4,5-dihydro-3(2H)-pyridazinone

6-(4-aminophenyl)-5-methylpyridazine-3(2H)-one