Adenine, 9-benzyl-N,N-dimethyl-

Base Information

• Chemical Name: Adenine, 9-benzyl-N,N-dimethyl-
• CAS No.: 6332-42-9
• Molecular Formula: C14H15N5
• Molecular Weight: 253.307
• NSC Number: 25723
• DSSTox Substance ID: DTXSID60212703
• Nikkaji Number: J271.649F
• Wikidata: Q83087879
• ChEMBL ID: CHEMBL6889

Synonyms:Adenine, 9-benzyl-N,N-dimethyl-;9-Benzyl-N,N-dimethyladenine;6332-42-9;BRN 0620119;SQ 22421;N,N-Dimethyl-9-(phenylmethyl)-9H-purin-6-amine;Adenine, 9-benzyl-N,N-dimethyl- (7CI,8CI);5-26-16-00152 (Beilstein Handbook Reference);9H-Purin-6-amine, N,N-dimethyl-9-(phenylmethyl)-;9-benzyl-N,N-dimethylpurin-6-amine;Purine, 9-Benzyl-6-dimethylamino;NSC25723;CHEMBL6889;6-dimethylamino-9-benzylpurine;DTXSID60212703;NSC 25723;NSC-25723;9-benzyl-N,N-dimethyl-purin-6-amine;6-(Dimethylamino)-9-benzyl-9H-purine;9-benzyl-N,N-dimethyl-9H-purin-6-amine;LS-126389;N,N-DIMETHYL-9-(PHENYLMETHYL)PURIN-6-AMINE

Chemical Property of Adenine, 9-benzyl-N,N-dimethyl-

Chemical Property:

• Vapor Pressure: 1.77E-08mmHg at 25°C
• Boiling Point: 455.3°Cat760mmHg
• Flash Point: 229.2°C
• Density: 1.22g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 253.13274550
• Heavy Atom Count: 19
• Complexity: 290

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=NC=NC2=C1N=CN2CC3=CC=CC=C3

Technology Process of Adenine, 9-benzyl-N,N-dimethyl-

There total 14 articles about Adenine, 9-benzyl-N,N-dimethyl- 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: 96.0%

9-benzyl-6-chloro-9H-purine (1928-76-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 9-benzyl-6-dimethylamino-9H-purine (6332-42-9)

Guidance literature:

With hydrogenchloride; at 180 ℃; for 0.0333333h; Microwave irradiation;

DOI:10.1016/j.tet.2010.12.040

Reference yield: 94.0%

9-benzyl-6-chloro-9H-purine (1928-76-3) + dimethyl amine (124-40-3) → 9-benzyl-6-dimethylamino-9H-purine (6332-42-9)

Guidance literature:

In N,N-dimethyl-formamide; at 180 ℃; Microwave irradiation; Inert atmosphere;

DOI:10.1016/j.tetlet.2014.03.084

Reference yield: 88.0%

N6-benzyl-N4,N4-dimethylpyrimidine-4,5,6-triamine (123811-47-2) + orthoformic acid triethyl ester (122-51-0) → 9-benzyl-6-dimethylamino-9H-purine (6332-42-9)

Guidance literature:

With acetic anhydride; for 4h; Heating;

DOI:10.1016/j.tet.2007.04.063

upstream raw materials:

9-benzyl-6-chloro-9H-purine

dimethyl amine

benzyl bromide

6-Dimethylaminopurine

Downstream raw materials:

9-benzyl-8-bromo-6-(dimethylamino)-9H-purine

9-benzyl-6,8-bis(dimethylamino)-9H-purine

9-benzyl-6-(dimethylamino)-8-methoxy-9H-purine

9-benzyl-6-(dimethylamino)-8-(methylamino)-9H-purine

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