9-Pentofuranosyl-6-(propylsulfanyl)-9H-purine

Base Information

• Chemical Name: 9-Pentofuranosyl-6-(propylsulfanyl)-9H-purine
• CAS No.: 92035-03-5
• Molecular Formula: C13H18N4O4S
• Molecular Weight: 326.376
• NSC Number: 39044
• DSSTox Substance ID: DTXSID90284791
• Mol file: 92035-03-5.mol

Synonyms:92035-03-5;NSC39044;DTXSID90284791;NSC-39044;9-Pentofuranosyl-6-(propylsulfanyl)-9H-purine

Chemical Property of 9-Pentofuranosyl-6-(propylsulfanyl)-9H-purine

Chemical Property:

• Vapor Pressure: 8.55E-17mmHg at 25°C
• Boiling Point: 631.1°Cat760mmHg
• Flash Point: 335.5°C
• Density: 1.68g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 326.10487624
• Heavy Atom Count: 22
• Complexity: 380

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCSC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O

Technology Process of 9-Pentofuranosyl-6-(propylsulfanyl)-9H-purine

There total 3 articles about 9-Pentofuranosyl-6-(propylsulfanyl)-9H-purine 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:

methanol (67-56-1) + nitrobenzylthioinosine (38048-32-7) + 1-thiopropane (107-03-9) → 2-(4-nitrophenyl)ethanol (100-27-6) + 4-nitrobenzyl propyl sulfide (91012-47-4) + 6-mercaptopurine riboside (574-25-4) + 6-(propylthio)-9-(β-D-ribofuranosyl)purine (92035-03-5) + (2R,3R,4S,5R)-2-[6-(4-Hydroxyamino-benzylsulfanyl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol (143330-49-8) + 6-<<4-benzyl>thio>-9-(β-D-ribofuranosyl)purine (143330-48-7)

Guidance literature:

for 5h; Product distribution; Mechanism; Quantum yield; Irradiation; other solvent, additives, other substrates;

DOI:10.1021/jo00048a034

Reference yield:

nitrobenzylthioinosine (38048-32-7) + 1-thiopropane (107-03-9) → 1-methyl-4-nitrobenzene (99-99-0) + 4-nitrobenzyl propyl sulfide (91012-47-4) + 6-thioinosine (574-25-4) + 6-<(propylthio)thio>-9-(β-D-ribofuranosyl)purine (130948-35-5) + 6-(propylthio)-9-(β-D-ribofuranosyl)purine (92035-03-5)

Guidance literature:

In water; isopropyl alcohol; for 2h; Mechanism; Irradiation; deoxygenated solution; other solvent;

DOI:10.1016/S0040-4039(00)97787-6

Reference yield:

6-<(propylthio)thio>-9-(β-D-ribofuranosyl)purine (130948-35-5) → 6-thioinosine (574-25-4) + 6-(propylthio)-9-(β-D-ribofuranosyl)purine (92035-03-5)

Guidance literature:

With isopropyl alcohol; In water; Irradiation;

DOI:10.1016/S0040-4039(00)97787-6

upstream raw materials:

methanol

nitrobenzylthioinosine

1-thiopropane

6-<(propylthio)thio>-9-(β-D-ribofuranosyl)purine