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

Base Information

Chemical Name:Ethanol, 2-((6-amino-2-((4-butylphenyl)amino)-9H-purin-9-yl)methoxy)-, hydrate (2:1)
CAS No.:104715-82-4
Molecular Formula:C18H24 N6 O2
Molecular Weight:356.42
Hs Code.:
DSSTox Substance ID:DTXSID70146681
Mol file:104715-82-4.mol

Synonyms:Ethanol, 2-((6-amino-2-((4-butylphenyl)amino)-9H-purin-9-yl)methoxy)-, hydrate (2:1);104715-82-4;2-(p-n-Butylanilino)-9-((2-hydroxyethoxy)methyl)adenine hemihydrate;2-((6-Amino-2-((4-butylphenyl)amino)-9H-purin-9-yl)methoxy)ethanol hydrate (2:1);DTXSID70146681

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

Chemical Property:

Boiling Point:628.2±65.0 °C(Predicted)
PSA：231.45000
Density:1.33±0.1 g/cm3(Predicted)
LogP:6.16630
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:18
Exact Mass:730.40271274
Heavy Atom Count:53
Complexity:407

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC1=CC=C(C=C1)NC2=NC(=C3C(=N2)N(C=N3)COCCO)N.CCCCC1=CC=C(C=C1)NC2=NC(=C3C(=N2)N(C=N3)COCCO)N.O

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

There total 5 articles about Ethanol, 2-((6-amino-2-((4-butylphenyl)amino)-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: 58.0%

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

: 104715-82-4
2-(p-n-butylanilino)-9-<(2-hydroxyethoxy)methyl>adenine

Guidance literature:: With ammonia; In methanol; at 120 ℃; for 4h;
DOI:10.1021/jm00384a019

Reference yield:

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

: 104715-82-4
2-(p-n-butylanilino)-9-<(2-hydroxyethoxy)methyl>adenine

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: 58 percent / NH₃ / methanol / 4 h / 120 °C

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

Reference yield:

: 104-13-2
4-Butylaniline

: 104715-82-4
2-(p-n-butylanilino)-9-<(2-hydroxyethoxy)methyl>adenine

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: 58 percent / NH₃ / methanol / 4 h / 120 °C

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