6-Amino-9-benzyl-8-hydroxy-2-mercaptopurine

Base Information

Chemical Name:6-Amino-9-benzyl-8-hydroxy-2-mercaptopurine
CAS No.:226908-20-9
Molecular Formula:C12H11N5OS
Molecular Weight:273.318
Hs Code.:
DSSTox Substance ID:DTXSID50455925
Wikidata:Q82278096
ChEMBL ID:CHEMBL151582

Synonyms:226908-20-9;6-Amino-9-benzyl-8-hydroxy-2-mercaptopurine;6-Amino-9-benzyl-2-thioxo-7,9-dihydro-1H-purin-8(2H)-one;CHEMBL151582;SCHEMBL2060319;SCHEMBL18207658;DTXSID50455925;YVHWMATXRMXZJI-UHFFFAOYSA-N

Suppliers and Price of 6-Amino-9-benzyl-8-hydroxy-2-mercaptopurine

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 6-Amino-9-benzyl-8-hydroxy-2-mercaptopurine

Chemical Property:

XLogP3:0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:273.06843116
Heavy Atom Count:19
Complexity:492

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CN2C3=NC(=S)NC(=C3NC2=O)N

Technology Process of 6-Amino-9-benzyl-8-hydroxy-2-mercaptopurine

There total 6 articles about 6-Amino-9-benzyl-8-hydroxy-2-mercaptopurine 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:

: 622-78-6
Benzyl isothiocyanate

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 3173-56-6
benzyl isothiocyanate

: 226908-20-9
9-benzyl-8-hydroxy-2-mercaptoadenine

Guidance literature:: 2-aminomalononitrile p-toluenesulfonate; benzyl isothiocyanate; With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃; for 14h;

With sodium hydroxide; In tetrahydrofuran; water; at 50 ℃; for 0.333333h;

Benzyl isothiocyanate; With sodium hydroxide; more than 3 stages;

Reference yield:

: 532-55-8
Benzoyl isothiocyanate

: 226908-19-6
5-amino-1-benzyl-4-cyano-2-hydroxyimidazole

: 226908-20-9
9-benzyl-8-hydroxy-2-mercaptoadenine

Guidance literature:: Benzoyl isothiocyanate; 5-amino-1-benzyl-4-cyano-2-hydroxyimidazole; In tetrahydrofuran; at 20 ℃; for 12h;

With sodium hydroxide; In tetrahydrofuran; for 50h; Heating;
DOI:10.1016/j.bmc.2003.12.008

Reference yield:

: 3173-56-6
benzyl isothiocyanate

: 226908-20-9
9-benzyl-8-hydroxy-2-mercaptoadenine

Guidance literature:: Multi-step reaction with 3 steps

1: i-Pr₂NEt / tetrahydrofuran / 24 h / 20 °C

2: tetrahydrofuran / 48 h / 20 °C

3: aq. NaOH / tetrahydrofuran / 48 h / Heating

With sodium hydroxide; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran;
DOI:10.1039/b300557g