6-Amino-9-benzyl-2-ethylthiopurine

Base Information

• Chemical Name: 6-Amino-9-benzyl-2-ethylthiopurine
• CAS No.: 226907-56-8
• Molecular Formula: C₁₄H₁₅N₅S
• Molecular Weight: 285.373
• DSSTox Substance ID: DTXSID301241220
• Mol file: 226907-56-8.mol

Synonyms:6-Amino-9-benzyl-2-ethylthiopurine;SCHEMBL7211053;QHSHFZWGRQXQTI-UHFFFAOYSA-N;DTXSID301241220;226907-56-8;2-(Ethylthio)-9-(phenylmethyl)-9H-purin-6-amine

Chemical Property of 6-Amino-9-benzyl-2-ethylthiopurine

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 285.10481667
• Heavy Atom Count: 20
• Complexity: 310

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCSC1=NC(=C2C(=N1)N(C=N2)CC3=CC=CC=C3)N

Technology Process of 6-Amino-9-benzyl-2-ethylthiopurine

There total 1 articles about 6-Amino-9-benzyl-2-ethylthiopurine 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:

6-amino-9-benzyl-2-chloropurine (56046-25-4) + sodium thioethylate (811-51-8) → 6-Amino-9-benzyl-2-ethylthiopurine (226907-56-8)

Guidance literature:

In N,N-dimethyl-formamide; at 110 ℃;

DOI:10.1016/j.bmc.2003.12.008

Reference yield: 16.0%

6-Amino-9-benzyl-2-ethylthiopurine (226907-56-8) + sodium thiosulfate → 6-Amino-9-benzyl-8-bromo-2-ethylthiopurine (226907-69-3)

Guidance literature:

With bromine; In dichloromethane;

Reference yield:

6-Amino-9-benzyl-2-ethylthiopurine (226907-56-8) → 6-Amino-9-benzyl-8-bromo-2-ethylthiopurine (226907-69-3)

Guidance literature:

With bromine; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmc.2003.12.008

upstream raw materials:

6-amino-9-benzyl-2-chloropurine

sodium thioethylate

Downstream raw materials:

6-Amino-9-benzyl-8-bromo-2-ethylthiopurine