9H-Purine-9-acetic acid, 2-amino-6-(phenylmethoxy)-, ethyl ester

Base Information

• Chemical Name: 9H-Purine-9-acetic acid, 2-amino-6-(phenylmethoxy)-, ethyl ester
• CAS No.: 144084-39-9
• Molecular Formula: C16H17N5O3
• Molecular Weight: 327.343
• DSSTox Substance ID: DTXSID00434321
• Nikkaji Number: J525.762J
• Wikidata: Q82248695
• ChEMBL ID: CHEMBL140947
• Mol file: 144084-39-9.mol

Synonyms:144084-39-9;Ethyl 2-(2-amino-6-(benzyloxy)-9H-purin-9-yl)acetate;ethyl 2-[2-amino-6-(benzyloxy)-9H-purin-9-yl]acetate;9H-Purine-9-acetic acid, 2-amino-6-(phenylmethoxy)-, ethyl ester;CHEMBL140947;SCHEMBL3301303;DTXSID00434321;6-(Benzyloxy)-2-amino-9H-purine-9-acetic acid ethyl ester

Chemical Property of 9H-Purine-9-acetic acid, 2-amino-6-(phenylmethoxy)-, ethyl ester

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 327.13313942
• Heavy Atom Count: 24
• Complexity: 419

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CN1C=NC2=C1N=C(N=C2OCC3=CC=CC=C3)N

Technology Process of 9H-Purine-9-acetic acid, 2-amino-6-(phenylmethoxy)-, ethyl ester

There total 4 articles about 9H-Purine-9-acetic acid, 2-amino-6-(phenylmethoxy)-, ethyl ester 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: 35.0%

ethyl bromoacetate (105-36-2) + 2-Amino-6-benzyloxypurine (19916-73-5) → ethyl 2-(2-amino-6-(benzyloxy)-9H-purin-9-yl)acetate (144084-39-9)

Guidance literature:

2-Amino-6-benzyloxypurine; With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 1h; Inert atmosphere;

ethyl bromoacetate; In N,N-dimethyl-formamide; for 2h; Inert atmosphere;

DOI:10.1016/j.bmcl.2019.03.049

Reference yield:

ethyl bromoacetate (105-36-2) + 6-O-benzylguanine (19916-73-5) → ethyl 2-(2-amino-6-(benzyloxy)-9H-purin-9-yl)acetate (144084-39-9) + 2-Amino-6-benzyloxy-7-carboethoxymethylpurine·

Guidance literature:

With sodium ethanolate; Yield given. Multistep reaction. Yields of byproduct given; 1.) EtOH, 10 min, 2.) DMF, 0 deg C, 30 min;

DOI:10.1021/jm00101a028

Reference yield:

2-Amino-6-chloropurin (10310-21-1) + benzyl alcohol (100-51-6,185532-71-2) → ethyl 2-(2-amino-6-(benzyloxy)-9H-purin-9-yl)acetate (144084-39-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium / 2 h / 130 °C / Inert atmosphere

1.2: 4 h / 20 - 130 °C / Inert atmosphere

2.1: sodium hydride / N,N-dimethyl-formamide / 1 h / 0 - 20 °C / Inert atmosphere

2.2: 2 h / Inert atmosphere

With sodium; sodium hydride; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2019.03.049

upstream raw materials:

ethyl bromoacetate

6-O-benzylguanine

2-Amino-6-benzyloxypurine

2-Amino-6-chloropurin

Downstream raw materials:

ethyl [N²,N²-bis(tert-butoxycarbonyl)-O⁶-benzylguanidin-9-yl]acetate

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