6-Chloro-8-isopropyl-9H-purine

Base Information

• Chemical Name: 6-Chloro-8-isopropyl-9H-purine
• CAS No.: 92001-54-2
• Molecular Formula: C₈H₉ClN₄
• Molecular Weight: 196.639
• DSSTox Substance ID: DTXSID501292043
• Mol file: 92001-54-2.mol

Synonyms:6-CHLORO-8-ISOPROPYL-9H-PURINE;92001-54-2;6-Chloro-8-isopropyl-1h-purine;6-CHLORO-8-(PROPAN-2-YL)-9H-PURINE;6-Chloro-8-isopropyl-7H-purine;DTXSID501292043;AKOS006306853;AB63013;CS-0275477;6-CHLORO-8-(1-METHYLETHYL)-9H-PURINE;EN300-363962

Chemical Property of 6-Chloro-8-isopropyl-9H-purine

Chemical Property:

• PSA: 54.46000
• LogP: 2.12970
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 196.0515740
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

98%min ^*data from raw suppliers

6-chloro-8-(1-methylethyl)-9H-Purine 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=NC2=C(N1)C(=NC=N2)Cl

Technology Process of 6-Chloro-8-isopropyl-9H-purine

There total 3 articles about 6-Chloro-8-isopropyl-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: 54.0%

4-amino-5-(2-methylpropanoyl)amino-6-oxo-1,6-dihydropyrimidine (50609-12-6) → 6-chloro-8-isopropyl-9H-purine (92001-54-2)

Guidance literature:

With N,N-diethylaniline; trichlorophosphate; for 6h; Heating;

Reference yield:

bis-(((isopropyl)sulfinyl)oxy)zinc + 6-chloro-7H-purine (87-42-3,111055-92-6) → C8H9ClN4 (92001-54-2)

Guidance literature:

With tert.-butylhydroperoxide; In water; ethylenediamine; at 0 - 50 ℃; for 36h;

Reference yield:

→ 6-chloro-8-isopropyl-9H-purine (92001-54-2)

Guidance literature:

Verb. IIIa,POCl3/NaOH;

upstream raw materials:

4-amino-5-(2-methylpropanoyl)amino-6-oxo-1,6-dihydropyrimidine

6-chloro-7H-purine