7-Methyladenine

Base Information

• Chemical Name: 7-Methyladenine
• CAS No.: 935-69-3
• Molecular Formula: C6H7 N5
• Molecular Weight: 149.155
• Hs Code.: 29335995
• European Community (EC) Number: 635-651-5
• NSC Number: 7857
• DSSTox Substance ID: DTXSID9049376
• Nikkaji Number: J80.029E
• Wikidata: Q27103966
• Metabolomics Workbench ID: 41422
• ChEMBL ID: CHEMBL449346
• Mol file: 935-69-3.mol

Synonyms:7-methyladenine

Chemical Property of 7-Methyladenine

Chemical Property:

• Vapor Pressure: 3.67E-06mmHg at 25°C
• Melting Point: 323 °C
• Refractive Index: 1.8070 (estimate)
• Boiling Point: 385.9°Cat760mmHg
• PKA: 4.73±0.30(Predicted)
• Flash Point: 187.2°C
• PSA: 69.62000
• Density: 1.6g/cm³
• LogP: 0.52670
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 149.07014524
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

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

7-Methyl-7H-purin-6-amine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-43-36
• Safety Statements: 24/25-36/37-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC2=NC=NC(=C21)N

Technology Process of 7-Methyladenine

There total 31 articles about 7-Methyladenine 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: 93.0%

3-benzyl-7-methyladenine perchlorate → 7-methyladenine (935-69-3)

Guidance literature:

With sulfuric acid; In toluene; at 60 ℃; for 0.5h;

DOI:10.1248/cpb.34.2037

Reference yield: 84.0%

7-Methyladenosine Perchlorate (81319-59-7) → 7-methyladenine (935-69-3)

Guidance literature:

With water; at 98 - 100 ℃; for 0.666667h;

DOI:10.1248/cpb.38.1886

Reference yield: 81.0%

N6-benzoyl-7-methyladenine (96695-53-3) → 7-methyladenine (935-69-3)

Guidance literature:

With sodium methylate; In methanol; for 1h; Heating;

upstream raw materials:

4-amino-5-cyano-1-methyl-1H-imidazole

formamide

7-Methyl-6-thiopurin

6-chloro-7-methyl-7H-purine

Downstream raw materials:

4-amino-N-(7-methyl-7H-purin-6-yl)-benzenesulfonamide

Refernces

• 1、 Dal Ben, Diego,Buccioni, Michela,Lambertucci, Catia,Thomas, Ajiroghene,Klotz, Karl-Norbert,Federico, Stephanie,Cacciari, Barbara,Spalluto, Giampiero,Volpini, Rosaria. "8-(2-Furyl)adenine derivatives as A2A adenosine receptor ligands". . p. 525 - 535. Retrieved 2013/11/19.
• 2、 Lambertucci, Catia,Antonini, Ippolito,Buccioni, Michela,Dal Ben, Diego,Kachare, Dhuldeo D.,Volpini, Rosaria,Klotz, Karl-Norbert,Cristalli, Gloria. "8-Bromo-9-alkyl adenine derivatives as tools for developing new adenosine A2A and A2B receptors ligands". experimental part. p. 2812 - 2822. Retrieved 2009/09/08.