5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-(phenylmethyl)-6-propyl-3-(4-pyridinyl)-

Base Information

Chemical Name:5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-(phenylmethyl)-6-propyl-3-(4-pyridinyl)-
CAS No.:135446-09-2
Molecular Formula:C21H19N7O
Molecular Weight:385.4219
Hs Code.:
DSSTox Substance ID:DTXSID70159377
Wikidata:Q83027695

Synonyms:5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-(phenylmethyl)-6-propyl-3-(4-pyridinyl)-;6,9-Dihydro-6-n-propyl-9-benzyl-3-(4-pyridyl)-5H-1,2,4-triazolo(3,4-i)purin-5-one;9-(Phenylmethyl)-6-propyl-3-(4-pyridinyl)-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one;135446-09-2;SCHEMBL9030631;DTXSID70159377;LS-156666

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

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Chemical Property of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-(phenylmethyl)-6-propyl-3-(4-pyridinyl)-

Chemical Property:

Vapor Pressure:6.81E-21mmHg at 25°C
Boiling Point:725.3°C at 760 mmHg
Flash Point:392.5°C
Density:1.39g/cm³
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:385.16510826
Heavy Atom Count:29
Complexity:577

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCN1C2=C(C3=NN=C(N3C1=O)C4=CC=NC=C4)N(C=N2)CC5=CC=CC=C5

Technology Process of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-(phenylmethyl)-6-propyl-3-(4-pyridinyl)-

There total 5 articles about 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-(phenylmethyl)-6-propyl-3-(4-pyridinyl)- 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: 62.0%

: 135446-09-2
9-benzyl-6,9-dihydro-6-n-propyl-3-(pyridin-4-yl)-5H-1,2,4-triazolo[3,4-i]purin-5-one

Guidance literature:

Reference yield:

: 142560-02-9
Isonicotinic acid N'-(7-benzyl-2-oxo-3-propyl-3,7-dihydro-2H-purin-6-yl)-hydrazide

: 135446-09-2
9-benzyl-6,9-dihydro-6-n-propyl-3-(pyridin-4-yl)-5H-1,2,4-triazolo[3,4-i]purin-5-one

Guidance literature:: With toluene-4-sulfonic acid; In toluene; Heating;
DOI:10.1016/S0040-4039(00)79837-6

Reference yield:

: 54-85-3,7640-37-1
isoniazid

: 135446-09-2
9-benzyl-6,9-dihydro-6-n-propyl-3-(pyridin-4-yl)-5H-1,2,4-triazolo[3,4-i]purin-5-one

Guidance literature:: Multi-step reaction with 2 steps

1: dimethylsulfoxide / 150 °C

2: p-toluenesulfonic acid / toluene; various solvent(s) / Heating

With toluene-4-sulfonic acid; In dimethyl sulfoxide; toluene;
DOI:10.1016/S0040-4039(00)79837-6