Ethanol, 2-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-

Base Information

• Chemical Name: Ethanol, 2-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-
• CAS No.: 87540-57-6
• Molecular Formula: C₁₈H₁₆N₄O₃
• Molecular Weight: 336.35
• DSSTox Substance ID: DTXSID30236431
• Wikidata: Q83118392
• Mol file: 87540-57-6.mol

Synonyms:87540-57-6;Ethanol, 2-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-;2-((3-(4-Methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)ethanol;SCHEMBL10660698;DTXSID30236431;LS-66869

Chemical Property of Ethanol, 2-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-

Chemical Property:

• PSA: 81.77000
• Density: 1.38g/cm³
• LogP: 2.32420
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 336.12224039
• Heavy Atom Count: 25
• Complexity: 433

Purity/Quality:

2-((3-(4-METHOXYPHENYL)-1,2,4-TRIAZOLO(3,4-A)PHTHALAZIN-6-YL)OXY)ETHAN OL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)OCCO

Technology Process of Ethanol, 2-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-

There total 4 articles about Ethanol, 2-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)- 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: 89.0%

→ 2-<<3-(4-'methoxyphenyl)-1,2,4-triazolo<3,4-a>phthalazin-6-yl>-oxy>-ethanol (87540-57-6)

Guidance literature:

Reference yield: 88.0%

ethylene glycol (107-21-1) + 6-chloro-3-(4-methoxy-phenyl)-[1,2,4]triazolo[3,4-a]phthalazine (98123-77-4) → 2-<<3-(4-'methoxyphenyl)-1,2,4-triazolo<3,4-a>phthalazin-6-yl>-oxy>-ethanol (87540-57-6)

Guidance literature:

With sodium; at 140 ℃; for 5h;

Reference yield:

1-chloro-4-hydrazinophthalazine (51935-42-3,59275-72-8) → 2-<<3-(4-'methoxyphenyl)-1,2,4-triazolo<3,4-a>phthalazin-6-yl>-oxy>-ethanol (87540-57-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent

2: 88 percent / Na / 5 h / 140 °C

With sodium;

upstream raw materials:

ethylene glycol

6-chloro-3-(4-methoxy-phenyl)-[1,2,4]triazolo[3,4-a]phthalazine

1-chloro-4-hydrazinophthalazine

4-methoxy-benzoyl chloride

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