1,9-Dihydro-2-((4-butylphenyl)amino)-9-((2-hydroxyethoxy)methyl)-6H-purine-6-thione

Base Information

Chemical Name:1,9-Dihydro-2-((4-butylphenyl)amino)-9-((2-hydroxyethoxy)methyl)-6H-purine-6-thione
CAS No.:104715-84-6
Molecular Formula:C18H23 N5 O2 S
Molecular Weight:373.4725
Hs Code.:
NSC Number:681698
DSSTox Substance ID:DTXSID50909150
ChEMBL ID:CHEMBL16219
Mol file:104715-84-6.mol

Synonyms:BRN 5642506;NSC681698;2-(p-n-Butylanilino)-6-thioxo-9-((2-hydroxyethoxy)methyl)purine;1,9-Dihydro-2-((4-butylphenyl)amino)-9-((2-hydroxyethoxy)methyl)-6H-purine-6-thione;6H-Purine-6-thione, 1,9-dihydro-2-((4-butylphenyl)amino)-9-((2-hydroxyethoxy)methyl)-;104715-84-6;CHEMBL16219;C18H23N5O2S;DTXSID50909150;C18-H23-N5-O2-S;NSC-681698;NCI60_029189;LS-127179;2-[[2-(4-butylanilino)-6-sulfanyl-purin-9-yl]methoxy]ethanol;2-((2-(4-Butylanilino)-6-mercapto-9H-purin-9-yl)methoxy)ethanol;2-{[2-(4-Butylanilino)-6-sulfanyl-9H-purin-9-yl]methoxy}ethan-1-ol

Suppliers and Price of 1,9-Dihydro-2-((4-butylphenyl)amino)-9-((2-hydroxyethoxy)methyl)-6H-purine-6-thione

Supply Marketing:

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

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Chemical Property of 1,9-Dihydro-2-((4-butylphenyl)amino)-9-((2-hydroxyethoxy)methyl)-6H-purine-6-thione

Chemical Property:

Vapor Pressure:6.42E-16mmHg at 25°C
Boiling Point:613.7°Cat760mmHg
Flash Point:325°C
Density:1.34g/cm³
XLogP3:3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:373.15724617
Heavy Atom Count:26
Complexity:496

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC1=CC=C(C=C1)NC2=NC(=S)C3=C(N2)N(C=N3)COCCO

Technology Process of 1,9-Dihydro-2-((4-butylphenyl)amino)-9-((2-hydroxyethoxy)methyl)-6H-purine-6-thione

There total 5 articles about 1,9-Dihydro-2-((4-butylphenyl)amino)-9-((2-hydroxyethoxy)methyl)-6H-purine-6-thione 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: 87.0%

: 104715-76-6
2-(p-n-butylanilino)-6-chloro-9-<(2-acetoxyethoxy)methyl>purine

: 104715-84-6
2-(p-n-butylanilino)-6-thioxo-9-<(2-hydroxyethoxy)methyl>purine

Guidance literature:: With sodium hydrogensulfide; In ethanol; for 0.5h; Heating;
DOI:10.1021/jm00384a019

Reference yield:

: 83173-14-2
N²-(p-n-butylphenyl)guanine

: 104715-84-6
2-(p-n-butylanilino)-6-thioxo-9-<(2-hydroxyethoxy)methyl>purine

Guidance literature:: Multi-step reaction with 3 steps

1: 96 percent / phosphoryl chloride, N,N-dimethylaniline / 0.17 h / Heating

2: 1.) NaH / 1.) MeCN, RT, 30 min, 2.) MeCN, RT, 20 min

3: 87 percent / sodium hydrosulfide hydrate / ethanol / 0.5 h / Heating

With sodium hydrogensulfide; sodium hydride; N,N-dimethyl-aniline; trichlorophosphate; In ethanol;
DOI:10.1021/jm00384a019

Reference yield:

: 104-13-2
4-Butylaniline

: 104715-84-6
2-(p-n-butylanilino)-6-thioxo-9-<(2-hydroxyethoxy)methyl>purine

Guidance literature:: Multi-step reaction with 4 steps

1: 4-butylaniline hydrochloride / 2-methoxy-ethanol / Heating

2: 96 percent / phosphoryl chloride, N,N-dimethylaniline / 0.17 h / Heating

3: 1.) NaH / 1.) MeCN, RT, 30 min, 2.) MeCN, RT, 20 min

4: 87 percent / sodium hydrosulfide hydrate / ethanol / 0.5 h / Heating

With sodium hydrogensulfide; sodium hydride; p-butylaniline hydrochloride; N,N-dimethyl-aniline; trichlorophosphate; In ethanol; 2-methoxy-ethanol;
DOI:10.1021/jm00384a019