Ethanol, 2-((2-((4-butylphenyl)amino)-6-methoxy-9H-purin-9-yl)methoxy)-, hydrate (2:1)

Base Information

Chemical Name:Ethanol, 2-((2-((4-butylphenyl)amino)-6-methoxy-9H-purin-9-yl)methoxy)-, hydrate (2:1)
CAS No.:104715-85-7
Molecular Formula:C19H25 N5 O3
Molecular Weight:371.439
Hs Code.:
DSSTox Substance ID:DTXSID90146683

Synonyms:Ethanol, 2-((2-((4-butylphenyl)amino)-6-methoxy-9H-purin-9-yl)methoxy)-, hydrate (2:1);104715-85-7;2-(p-n-Butylanilino)-6-methoxy-9-((2-hydroxyethoxy)methyl)purine hemihydrate;2-((2-((4-Butylphenyl)amino)-6-methoxy-9H-purin-9-yl)methoxy)ethanol hydrate (2:1);DTXSID90146683

Suppliers and Price of Ethanol, 2-((2-((4-butylphenyl)amino)-6-methoxy-9H-purin-9-yl)methoxy)-, hydrate (2:1)

Supply Marketing:

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

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Chemical Property of Ethanol, 2-((2-((4-butylphenyl)amino)-6-methoxy-9H-purin-9-yl)methoxy)-, hydrate (2:1)

Chemical Property:

Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:20
Exact Mass:760.40204404
Heavy Atom Count:55
Complexity:422

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)OC)N=CN3COCCO.CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)OC)N=CN3COCCO.O

Technology Process of Ethanol, 2-((2-((4-butylphenyl)amino)-6-methoxy-9H-purin-9-yl)methoxy)-, hydrate (2:1)

There total 5 articles about Ethanol, 2-((2-((4-butylphenyl)amino)-6-methoxy-9H-purin-9-yl)methoxy)-, hydrate (2:1) 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: 94.0%

: 124-41-4
sodium methylate

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

: 104715-85-7
2-(p-n-butylanilino)-6-methoxy-9-<(2-hydroxyethoxy)methyl>purine

Guidance literature:: In methanol; for 2h; Heating;
DOI:10.1021/jm00384a019

Reference yield:

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

: 104715-85-7
2-(p-n-butylanilino)-6-methoxy-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: 94 percent / methanol / 2 h / Heating

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

Reference yield:

: 104-13-2
4-Butylaniline

: 104715-85-7
2-(p-n-butylanilino)-6-methoxy-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: 94 percent / methanol / 2 h / Heating

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