4-(Aminomethyl)-1(2H)-phthalazinone

Base Information

• Chemical Name: 4-(Aminomethyl)-1(2H)-phthalazinone
• CAS No.: 22370-18-9
• Molecular Formula: C₉H₉N₃O
• Molecular Weight: 175.19
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60355689
• Wikidata: Q82134718
• ChEMBL ID: CHEMBL5082733
• Mol file: 22370-18-9.mol

Synonyms:4-(aminomethyl)phthalazin-1(2H)-one

Chemical Property of 4-(Aminomethyl)-1(2H)-phthalazinone

Chemical Property:

• Refractive Index: 1.698
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 71.77000
• Density: 1.41g/cm³
• LogP: 1.08210
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 175.074561919
• Heavy Atom Count: 13
• Complexity: 249

Purity/Quality:

97% ^*data from raw suppliers

4-(aminomethyl)phthalazin-1(2H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=NNC2=O)CN

Technology Process of 4-(Aminomethyl)-1(2H)-phthalazinone

There total 3 articles about 4-(Aminomethyl)-1(2H)-phthalazinone 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:

benzoylamino-(4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid hydrazide (49660-30-2) → 4-(aminomethyl)- phthalazin-1(2H)-one (22370-18-9)

Guidance literature:

benzoylamino-(4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid hydrazide; With hydrogenchloride; In water; at 105 ℃; for 12h;

With sodium hydroxide; In water; pH=10;

Reference yield:

4-nitromethyl-2H-phthalazin-1-one (49546-81-8) → 4-(aminomethyl)- phthalazin-1(2H)-one (22370-18-9)

Guidance literature:

With phosphorus; water; hydrogen iodide;

Reference yield:

→ 4-(aminomethyl)- phthalazin-1(2H)-one (22370-18-9)

Guidance literature:

aus α-Benzoylamino-α--essigsaeure-hydrazin und HCl;

upstream raw materials:

4-nitromethyl-2H-phthalazin-1-one

benzoylamino-(4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid hydrazide

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