6-chloro-8-methyl-9H-purine

Base Information

• Chemical Name: 6-chloro-8-methyl-9H-purine
• CAS No.: 92001-52-0
• Molecular Formula: C6H5ClN4
• Molecular Weight: 168.585
• Hs Code.: 2933990090
• NSC Number: 22728
• DSSTox Substance ID: DTXSID10419922
• Nikkaji Number: J2.046.062H
• Mol file: 92001-52-0.mol

Synonyms:6-chloro-8-methyl-9H-purine;92001-52-0;6-chloro-8-methyl-7H-purine;6-CHLORO-8-METHYL-PURINE;9H-Purine,6-chloro-8-methyl-;Purine, 6-chloro-8-methyl-;SCHEMBL9544738;DTXSID10419922;MZYQXIIORWCBHF-UHFFFAOYSA-N;NSC22728;MFCD00234163;NSC 22728;NSC-22728;AKOS005208589;AB05171;AS-41586;6-Chloro-8-methyl-9H-purine, AldrichCPR;CS-0152748;A860173;AC-907/25004507

Chemical Property of 6-chloro-8-methyl-9H-purine

Chemical Property:

• Vapor Pressure: 0.019mmHg at 25°C
• Refractive Index: 1.781
• Boiling Point: 415 °C at 760 mmHg
• Flash Point: 237.2 °C
• PSA: 54.46000
• Density: 1.535 g/cm³
• LogP: 1.31470
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 168.0202739
• Heavy Atom Count: 11
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

6-Chloro-8-methyl-9H-purine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(N1)C(=NC=N2)Cl

Technology Process of 6-chloro-8-methyl-9H-purine

There total 7 articles about 6-chloro-8-methyl-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: 75.0%

6-chloro-8-methyl-9-(tetrahydro-2-hydro-pyran-2-yl)-9H-purine (239784-24-8) → 6-chloro-8-methyl-9H-purine (92001-52-0)

Guidance literature:

With Dowex 50WX₈ (H(+)); In ethanol; for 1h; Heating;

DOI:10.1055/s-2004-816012

Reference yield: 52.0%

6-chloro-4,5-diaminopyrimidine (4316-98-7) + acetic anhydride (108-24-7) → 6-chloro-8-methyl-9H-purine (92001-52-0)

Guidance literature:

at 120 ℃;

Reference yield: 41.0%

5-acetylamino-4-amino-6-oxo-1,6-dihydropyrimidine (50609-15-9) → 6-chloro-8-methyl-9H-purine (92001-52-0)

Guidance literature:

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

upstream raw materials:

5-acetylamino-4-amino-6-oxo-1,6-dihydropyrimidine

6-chloro-8-methyl-9-(tetrahydro-2-hydro-pyran-2-yl)-9H-purine

6,8-dichloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine

6-chloro-4,5-diaminopyrimidine

Refernces

• 1、 -. "COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE". Page/Page column 139. . Retrieved 2015/09/22.
• 2、 Hocek, Michal,Hockova, Dana,Dvorakova, Hana. "Dichotomy in regioselective cross-coupling reactions of 6,8-dichloropurines with phenylboronic acid and methylmagnesium chloride: Synthesis of 6,8-di-substituted purines". . p. 889 - 894. Retrieved 2007/10/03.