1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)-

Base Information

Chemical Name:1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)-
CAS No.:87540-18-9
Molecular Formula:C₂₁H₂₀BrN₅O₂
Molecular Weight:454.326
Hs Code.:
DSSTox Substance ID:DTXSID00236408
Wikidata:Q83118362
ChEMBL ID:CHEMBL275566

Synonyms:87540-18-9;BRN 6445524;1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)-;3-(3-Bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazine;3-(3-Bromo-4,5-dimethoxyphenyl)-6-(pyrrolidin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine;C21H20BrN5O2;CHEMBL275566;DTXSID00236408;C21-H20-Br-N5-O2;LS-156569

Suppliers and Price of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-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-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)-

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.58g/cm³
XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:453.08004
Heavy Atom Count:29
Complexity:565

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C(=CC(=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)N5CCCC5)Br)OC

Technology Process of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)-

There total 4 articles about 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-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: 57.0%

: 123-75-1
pyrrolidine

: 113628-59-4
3-(3-Bromo-4,5-dimethoxy-phenyl)-6-chloro-[1,2,4]triazolo[3,4-a]phthalazine

: 87540-18-9
3-(3-Bromo-4,5-dimethoxy-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

: 87540-18-9
3-(3-Bromo-4,5-dimethoxy-phenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine

Guidance literature:: Multi-step reaction with 3 steps

1: 96 percent / 0.1N HCl / 0.17 h / 60 °C

2: 82 percent / Br₂, sodium acetate / acetic acid / 1 h / Ambient temperature

3: 57 percent / 30 h / 140 °C

With hydrogenchloride; bromine; sodium acetate; In acetic acid;
DOI:10.1021/jm00401a010

Reference yield:

: 6948-30-7
5-bromoveratralaldehyde

: 87540-18-9
3-(3-Bromo-4,5-dimethoxy-phenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine

Guidance literature:: Multi-step reaction with 3 steps

1: 96 percent / 0.1N HCl / 0.17 h / 60 °C

2: 82 percent / Br₂, sodium acetate / acetic acid / 1 h / Ambient temperature

3: 57 percent / 30 h / 140 °C

With hydrogenchloride; bromine; sodium acetate; In acetic acid;
DOI:10.1021/jm00401a010