6-Methylpurine

Base Information

• Chemical Name: 6-Methylpurine
• CAS No.: 2004-03-7
• Molecular Formula: C6H6N4
• Molecular Weight: 134.14
• Hs Code.: 29339900
• European Community (EC) Number: 217-903-2
• NSC Number: 407198
• UNII: SEO6WX0OZG
• DSSTox Substance ID: DTXSID6073283
• Nikkaji Number: J113.497C
• Wikidata: Q27093181
• Metabolomics Workbench ID: 52245
• ChEMBL ID: CHEMBL293405
• Mol file: 2004-03-7.mol

Synonyms:6-methyl purine;6-methylpurine

Chemical Property of 6-Methylpurine

Chemical Property:

• Vapor Pressure: 1.38E-06mmHg at 25°C
• Melting Point: 237-238 °C(lit.)
• Refractive Index: 1.695
• Boiling Point: 234.6 °C at 760 mmHg
• PKA: 9.25±0.20(Predicted)
• Flash Point: 87.2 °C
• PSA: 54.46000
• Density: 1.49 g/cm³
• LogP: 0.66130
• Storage Temp.: Store at RT.
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 134.059246208
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Methylpurine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): , Xn
• Hazard Codes: Xn,T
• Statements: 22-41-43-23/24/25-27
• Safety Statements: 26-36/37/39-45-39-36/37-28

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C2C(=NC=N1)N=CN2
• Uses: 6-Methylpurine (MeP) is a toxic adenine analog used as a bisubstrate inhibitor of enzymes that bind adenosyl moieties and which may become phosphorylated to levels that inhibit RNA and protein synthesis.

Technology Process of 6-Methylpurine

There total 21 articles about 6-Methylpurine 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: 98.0%

6-methyl-9-(tetrahydro-2-pyranyl)purine (92001-73-5) → 6-methylpurine (2004-03-7)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; at 20 ℃; for 72h;

DOI:10.1080/15257770008035035

Reference yield: 75.0%

1-amino-6-methylpurinium mesitylenesulfonate → 6-methylpurine (2004-03-7)

Guidance literature:

With ammonia; In methanol; at 100 ℃; for 17h; Product distribution; Mechanism; ANRORC mechanism determined by reaction with 15N labelled ammonia; var. temp. and time;

DOI:10.1016/S0040-4020(01)87667-5

Reference yield: 10.0%

2-chloro-6-methyl-9H-purine (1681-19-2) → 6-methylpurine (2004-03-7)

Guidance literature:

With potassium amide; In ammonia; for 70h; Mechanism;

DOI:10.1021/jo01303a004

upstream raw materials:

4,5-diamino-6-methylpyrimidine

formic acid

2-Chloro-4,5-diamino-6-methylpyrimidine

2,4-dichloro-6-methyl-5-nitropyrimidine

Downstream raw materials:

6-methyl-9-(β-D-ribofuranosyl)purine

(E)-6-(2-phenylethenyl)-1H-purine

9-(2-deoxy-3,5-di-O-p-toluoyl-β-D-erythro-pentofuranosyl)-6-methylpurine

9-(2-chlorophenethyl)-6-methyl-9H-purine

Refernces

• 1、 -. "IMIDAZOTETRAZINE COMPOUNDS". Page/Page column 39; 42. . Retrieved 2020/03/02.
• 2、 Hassan,Abou-Elkair,Montgomery,Secrist III. "Convenient syntheses of 6-methylpurine and related nucleosides". . p. 1123 - 1134. Retrieved 2007/10/03.