9H-Purine, 2-iodo-9-(1-methylethyl)-6-[(phenylmethyl)thio]-

Base Information

Chemical Name:9H-Purine, 2-iodo-9-(1-methylethyl)-6-[(phenylmethyl)thio]-
CAS No.:403620-92-8
Molecular Formula:C15H15IN4S
Molecular Weight:410.281
Hs Code.:
DSSTox Substance ID:DTXSID50467447
Nikkaji Number:J1.614.344H
Wikidata:Q82294402
Mol file:403620-92-8.mol

Synonyms:403620-92-8;6-(benzylthio)-2-iodo-9-isopropyl-9H-purine;9H-Purine, 2-iodo-9-(1-methylethyl)-6-[(phenylmethyl)thio]-;DTXSID50467447

Suppliers and Price of 9H-Purine, 2-iodo-9-(1-methylethyl)-6-[(phenylmethyl)thio]-

Supply Marketing:

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

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Chemical Property of 9H-Purine, 2-iodo-9-(1-methylethyl)-6-[(phenylmethyl)thio]-

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:410.00622
Heavy Atom Count:21
Complexity:338

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)N1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3)I

Technology Process of 9H-Purine, 2-iodo-9-(1-methylethyl)-6-[(phenylmethyl)thio]-

There total 8 articles about 9H-Purine, 2-iodo-9-(1-methylethyl)-6-[(phenylmethyl)thio]- 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%

: 67-63-0,8013-70-5
isopropyl alcohol

: 403620-97-3
6-benzylsulfanyl-2-iodopurine

: 403620-92-8
6-benzylsulfanyl-2-iodo-9-isopropyl-9H-purine

Guidance literature:: With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 20 ℃;
DOI:10.1016/j.bmc.2006.10.003

Reference yield: 50.0%

: 75-26-3
isopropyl bromide

: 403620-97-3
6-benzylsulfanyl-2-iodopurine

: 403620-92-8
6-benzylsulfanyl-2-iodo-9-isopropyl-9H-purine

Guidance literature:: With potassium carbonate; In dimethyl sulfoxide; at 50 ℃; regioselective reaction;
DOI:10.1016/j.bmc.2013.01.009

Reference yield:

: 403620-89-3
6-chloro-2-iodo-9-(tetrahydro-2H-pyran-2-yl)-9H-purine

: 403620-92-8
6-benzylsulfanyl-2-iodo-9-isopropyl-9H-purine

Guidance literature:: Multi-step reaction with 3 steps

1: 97 percent / triethylamine / ethanol / 0.17 h / 60 °C

2: 77 percent / trifluoroacetic acid / CH₂Cl₂ / 0.17 h / 20 °C

3: 80 percent / PPh₃; DIAD / tetrahydrofuran / 20 °C

With di-isopropyl azodicarboxylate; triethylamine; triphenylphosphine; trifluoroacetic acid; In tetrahydrofuran; ethanol; dichloromethane;
DOI:10.1016/j.bmc.2006.10.003