1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,4-dimethylphenyl)-6-(1-pyrrolidinyl)-

Base Information

Chemical Name:1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,4-dimethylphenyl)-6-(1-pyrrolidinyl)-
CAS No.:87540-08-7
Molecular Formula:C21H21 N5
Molecular Weight:343.4249
Hs Code.:
DSSTox Substance ID:DTXSID20236400
Wikidata:Q83118351
ChEMBL ID:CHEMBL14316

Synonyms:BRN 6435289;87540-08-7;1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,4-dimethylphenyl)-6-(1-pyrrolidinyl)-;3-(3,4-Dimethylphenyl)-6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazine;CHEMBL14316;DTXSID20236400;C21H21N5;LS-156587

Suppliers and Price of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,4-dimethylphenyl)-6-(1-pyrrolidinyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,4-dimethylphenyl)-6-(1-pyrrolidinyl)-

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.31g/cm³
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:343.17969569
Heavy Atom Count:26
Complexity:493

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)N5CCCC5)C

Technology Process of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,4-dimethylphenyl)-6-(1-pyrrolidinyl)-

There total 3 articles about 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,4-dimethylphenyl)-6-(1-pyrrolidinyl)- 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: 90.0%

: 123-75-1
pyrrolidine

: 87539-73-9
6-Chloro-3-(3,4-dimethyl-phenyl)-[1,2,4]triazolo[3,4-a]phthalazine

: 87540-08-7
3-(3,4-Dimethyl-phenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine

Guidance literature:: at 140 ℃; for 30h;
DOI:10.1021/jm00401a010

Reference yield:

: 51935-42-3,59275-72-8
1-chloro-4-hydrazinophthalazine

: 87540-08-7
3-(3,4-Dimethyl-phenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine

Guidance literature:: Multi-step reaction with 2 steps

1: 81 percent / Et₃N / dioxane / 5 h / Heating

2: 90 percent / 30 h / 140 °C

With triethylamine; In 1,4-dioxane;
DOI:10.1021/jm00401a010

Reference yield:

: 21900-23-2
3,4-dimethylbenzoyl chloride

: 87540-08-7
3-(3,4-Dimethyl-phenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine

Guidance literature:: Multi-step reaction with 2 steps

1: 81 percent / Et₃N / dioxane / 5 h / Heating

2: 90 percent / 30 h / 140 °C

With triethylamine; In 1,4-dioxane;
DOI:10.1021/jm00401a010