9H-Purine, 6-chloro-9-[(4-methoxyphenyl)methyl]-

Base Information

• Chemical Name: 9H-Purine, 6-chloro-9-[(4-methoxyphenyl)methyl]-
• CAS No.: 112088-76-3
• Molecular Formula: C13H11ClN4O
• Molecular Weight: 274.71
• DSSTox Substance ID: DTXSID80452725
• Nikkaji Number: J1.082.197E
• Wikidata: Q82273525
• ChEMBL ID: CHEMBL4163394

Synonyms:112088-76-3;6-chloro-9-(4-methoxybenzyl)-9H-purine;9H-Purine, 6-chloro-9-[(4-methoxyphenyl)methyl]-;6-chloro-9-[(4-methoxyphenyl)methyl]purine;6-Chloro-9-(4-Methoxy-benzyl)-9H-purine;SCHEMBL5465357;CHEMBL4163394;DTXSID80452725;JQNLSVGJRUOZMR-UHFFFAOYSA-N;AMY21229;6-Chloro-9-(4-methoxyphenylmethyl)-9H-purine;6-chloro-9-[(4-methoxyphenyl)methyl]-9H-purine

Chemical Property of 9H-Purine, 6-chloro-9-[(4-methoxyphenyl)methyl]-

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 274.0621387
• Heavy Atom Count: 19
• Complexity: 298

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3Cl

Technology Process of 9H-Purine, 6-chloro-9-[(4-methoxyphenyl)methyl]-

There total 7 articles about 9H-Purine, 6-chloro-9-[(4-methoxyphenyl)methyl]- 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: 85.0%

p-methylanizole (104-93-8) + 6-chloropurine (87-42-3) → 6-chloro-9-(4-methoxyphenylmethyl)-9H-purine (112088-76-3)

Guidance literature:

With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide; In water; at 90 ℃; for 12h; Sealed tube;

DOI:10.1021/acs.joc.8b00066

Reference yield: 70.0%

p-methoxybenzyl chloride (824-94-2) + 6-chloropurine (87-42-3) → 6-chloro-9-(4-methoxyphenylmethyl)-9H-purine (112088-76-3)

Guidance literature:

6-chloropurine; With potassium carbonate; In N,N-dimethyl-formamide; for 0.5h;

p-methoxybenzyl chloride; at 20 ℃;

Reference yield: 58.0%

p-methoxybenzyl chloride (824-94-2) + 6-chloropurine (87-42-3) → 6-chloro-7-[(4-methoxyphenyl)methyl]-7H-purine (112088-77-4) + 6-chloro-9-(4-methoxyphenylmethyl)-9H-purine (112088-76-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 20h;

DOI:10.1039/c8md00463c

upstream raw materials:

p-Methoxybenzyl bromide

6-chloropurine

p-methoxybenzyl chloride

p-methylanizole

Downstream raw materials:

6-(Dimethylamino)-9-(4-methoxybenzyl)-9H-purine

6-chloro-9-(4-methoxyphenylmethyl)-2-nitro-9H-purine

6-chloro-9-(4-methoxyphenylmethyl)-8-methyl-9H-purine

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