9H-Purine, 6-(ethylthio)-9-beta-D-ribofuranosyl-(8CI)(9CI)

Base Information

• Chemical Name: 9H-Purine, 6-(ethylthio)-9-beta-D-ribofuranosyl-(8CI)(9CI)
• CAS No.: 13286-04-9
• Molecular Formula: C12H16N4O4S
• Molecular Weight: 312.3448
• ChEMBL ID: CHEMBL406191
• Mol file: 13286-04-9.mol

Synonyms:CHEMBL406191;SRI 1215;13286-04-9;(2R,3R,4S,5R)-2-(6-(Ethylthio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol;NSC 39368;SCHEMBL6470152;BDBM50412072

Chemical Property of 9H-Purine, 6-(ethylthio)-9-beta-D-ribofuranosyl-(8CI)(9CI)

Chemical Property:

• Vapor Pressure: 7.32E-17mmHg at 25°C
• Boiling Point: 632.4°C at 760 mmHg
• Flash Point: 336.3°C
• Density: 1.76g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 312.08922618
• Heavy Atom Count: 21
• Complexity: 366

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O
• Isomeric SMILES: CCSC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

Technology Process of 9H-Purine, 6-(ethylthio)-9-beta-D-ribofuranosyl-(8CI)(9CI)

There total 3 articles about 9H-Purine, 6-(ethylthio)-9-beta-D-ribofuranosyl-(8CI)(9CI) 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: 96.0%

6-Chloropurine riboside (2004-06-0) + ethanethiol (75-08-1) → 6-Ethylmercaptopurine riboside (13286-04-9)

Guidance literature:

ethanethiol; With sodium hydroxide; In methanol; water; for 0.5h;

6-Chloropurine riboside; In methanol; water; at 20 ℃; for 12h;

Reference yield:

sodium carbonate monohydrate + 6-thioinosine (574-25-4) → 6-Ethylmercaptopurine riboside (13286-04-9)

Guidance literature:

In methanol; water;

Reference yield:

→ 6-Ethylmercaptopurine riboside (13286-04-9)

Guidance literature:

9-β-D-Ribofuranosyl-6-mercapto-9H-purin, CH3-CH2Br, K2CO3, DMF, 45-50grad, 1 h;

upstream raw materials:

6-thioinosine

6-Chloropurine riboside

ethanethiol