2-chloro-9-methyl-9H-purine

Base Information

• Chemical Name: 2-chloro-9-methyl-9H-purine
• CAS No.: 2346-73-8
• Molecular Formula: C6H5ClN4
• Molecular Weight: 168.585
• Hs Code.: 2933990090
• European Community (EC) Number: 859-102-6
• DSSTox Substance ID: DTXSID60428064
• Wikidata: Q82240836
• Mol file: 2346-73-8.mol

Synonyms:2-chloro-9-methyl-9H-purine;2346-73-8;2-chloro-9-methylpurine;2-chloranyl-9-methyl-purine;9-Methylchlorpurin;SCHEMBL602131;1-AZETIDINECARBOXYLICACID;DTXSID60428064;9H-Purine, 2-chloro-9-methyl-;MFCD07440150;AKOS000320501;AB42023;DS-1365;2-chloro-9-methyl-9H-purine, AldrichCPR;EN300-238053;A878233;F2124-0099;Z1198173385;8G8

Chemical Property of 2-chloro-9-methyl-9H-purine

Chemical Property:

• Melting Point: 135-136 °C(Solv: water (7732-18-5))
• Boiling Point: 286.5±46.0 °C(Predicted)
• PKA: 0.66±0.10(Predicted)
• PSA: 43.60000
• Density: 1.59±0.1 g/cm3(Predicted)
• LogP: 1.01670
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 168.0202739
• Heavy Atom Count: 11
• Complexity: 154

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC2=CN=C(N=C21)Cl

Technology Process of 2-chloro-9-methyl-9H-purine

There total 2 articles about 2-chloro-9-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:

→ 2-chloro-9-methyl-9H-purine (2346-73-8)

Guidance literature:

With water; zinc;

Reference yield:

→ 2-chloro-9-methyl-9H-purine (2346-73-8)

Guidance literature:

2-Chlor-purin, Methyljodid, K2CO3, DMSO; neben 2-Chlor-7-methyl-purin;

Reference yield: 81.0%

2-chloro-9-methyl-9H-purine (2346-73-8) + 2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (1609393-90-9) → 2-methoxy-3-(9-methyl-9H-purin-2-yl)aniline

Guidance literature:

With potassium phosphate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In 1,4-dioxane; water; at 100 ℃; for 16h;

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