8-(azepan-1-yl)-3-methyl-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione

Base Information

Chemical Name:8-(azepan-1-yl)-3-methyl-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione
CAS No.:4877-10-5
Molecular Formula:C21H25N9O2S
Molecular Weight:467.5473
Hs Code.:
DSSTox Substance ID:DTXSID40407655
Wikidata:Q82212976
Mol file:4877-10-5.mol

Synonyms:4877-10-5;STK562356;8-(azepan-1-yl)-3-methyl-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione;8-(azepan-1-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione;Oprea1_156012;DTXSID40407655;CCG-26597;AKOS001373919;AKOS005488313;F0570-0081;Z239084386

Suppliers and Price of 8-(azepan-1-yl)-3-methyl-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione

Supply Marketing:

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

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Chemical Property of 8-(azepan-1-yl)-3-methyl-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.54g/cm³
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:467.18519225
Heavy Atom Count:33
Complexity:701

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CCSC4=NN=NN4C5=CC=CC=C5

Technology Process of 8-(azepan-1-yl)-3-methyl-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione

There total 7 articles about 8-(azepan-1-yl)-3-methyl-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione 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: 80.0%

: 111-24-0
1,5-dibromo-pentane

: 104-92-7
1-bromo-4-methoxy-benzene

: 4877-10-5
1,5-bis(4-methoxyphenyl)pentane

Guidance literature:: 1-bromo-4-methoxy-benzene; With iodine; magnesium; In tetrahydrofuran; for 12h; Reflux;

1,5-dibromo-pentane; With copper(I) bromide; In N,N,N,N,N,N-hexamethylphosphoric triamide; for 24h; Reflux;
DOI:10.1002/ejoc.202000548

Reference yield: 71.0%

: 1334539-00-2
2-(4-methoxybenzyl)-5-(4-methoxyphenyl)pentan-1-ol

: 4877-10-5
1,5-bis(4-methoxyphenyl)pentane

Guidance literature:: With bis(1,5-cyclooctadiene)diiridium(I) dichloride; bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; potassium carbonate; 1,2-bis-(diphenylphosphino)ethane; In 1,3,5-trimethyl-benzene; at 160 ℃; for 24h; Inert atmosphere;
DOI:10.1002/anie.201104452