1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-bis(2-methoxyethyl)-3-(4-chlorophenyl)-

Base Information

• Chemical Name: 1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-bis(2-methoxyethyl)-3-(4-chlorophenyl)-
• CAS No.: 87540-36-1
• Molecular Formula: C21H22ClN5O2
• Molecular Weight: 411.8847
• DSSTox Substance ID: DTXSID50236413
• Wikidata: Q83118367
• ChEMBL ID: CHEMBL13942

Synonyms:BRN 6445481;1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-bis(2-methoxyethyl)-3-(4-chlorophenyl)-;N,N-Bis(2-methoxyethyl)-3-(4-chlorophenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-amine;87540-36-1;C21H22ClN5O2;CHEMBL13942;DTXSID50236413;LS-156546

Chemical Property of 1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-bis(2-methoxyethyl)-3-(4-chlorophenyl)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.31g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 411.1462027
• Heavy Atom Count: 29
• Complexity: 500

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCCN(CCOC)C1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=C(C=C4)Cl

Technology Process of 1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-bis(2-methoxyethyl)-3-(4-chlorophenyl)-

There total 3 articles about 1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-bis(2-methoxyethyl)-3-(4-chlorophenyl)- 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: 77.0%

Bis-(2-methoxyethyl)amine (111-95-5) + 6-Chloro-3-(4-chloro-phenyl)-[1,2,4]triazolo[3,4-a]phthalazine (87539-72-8) → [3-(4-Chloro-phenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-bis-(2-methoxy-ethyl)-amine (87540-36-1)

Guidance literature:

at 140 ℃; for 30h;

DOI:10.1021/jm00401a010

Reference yield:

1-chloro-4-hydrazinophthalazine (51935-42-3,59275-72-8) → [3-(4-Chloro-phenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-bis-(2-methoxy-ethyl)-amine (87540-36-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 76 percent / Et₃N / dioxane / 5 h / Heating

2: 77 percent / 30 h / 140 °C

With triethylamine; In 1,4-dioxane;

DOI:10.1021/jm00401a010

Reference yield:

4-chloro-benzoyl chloride (122-01-0) → [3-(4-Chloro-phenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-bis-(2-methoxy-ethyl)-amine (87540-36-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 76 percent / Et₃N / dioxane / 5 h / Heating

2: 77 percent / 30 h / 140 °C

With triethylamine; In 1,4-dioxane;

DOI:10.1021/jm00401a010

upstream raw materials:

Bis-(2-methoxyethyl)amine

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

1-chloro-4-hydrazinophthalazine

4-chloro-benzoyl chloride

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