N-Benzyl-2'-deoxyadenosine

Base Information

• Chemical Name: N-Benzyl-2'-deoxyadenosine
• CAS No.: 37113-47-6
• Molecular Formula: C17H19N5O3
• Molecular Weight: 341.37
• UNII: 017EA128X4
• Nikkaji Number: J991.460I
• Wikidata: Q27231409
• ChEMBL ID: CHEMBL3793378
• Mol file: 37113-47-6.mol

Synonyms:N-Benzyl-2'-deoxyadenosine;n6-benzyl-2'-deoxyadenosine;2'-Deoxy-N6-benzyladenosine;017EA128X4;6-Benzylamino-9-(2'-deoxy-b-D-ribofuranosyl)purine;UNII-017EA128X4;NSC-319516;SCHEMBL2288108;CHEMBL3793378;NSC 319516;Q27231409

Chemical Property of N-Benzyl-2'-deoxyadenosine

Chemical Property:

• Vapor Pressure: 6.98E-18mmHg at 25°C
• Boiling Point: 651.9°Cat760mmHg
• Flash Point: 348°C
• PSA: 105.32000
• Density: 1.53g/cm³
• LogP: 1.15210
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 341.14878949
• Heavy Atom Count: 25
• Complexity: 437

Purity/Quality:

97% ^*data from raw suppliers

N6-BENZYL-2-DEOXY-ADENOSINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC1N2C=NC3=C(N=CN=C32)NCC4=CC=CC=C4)CO)O
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NCC4=CC=CC=C4)CO)O

Technology Process of N-Benzyl-2'-deoxyadenosine

There total 18 articles about N-Benzyl-2'-deoxyadenosine 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: 99.0%

3',5'-bis-O-(tert-butyldimethylsilyl)-N6-benzyl-2'-deoxyadenosine → (-)-N6-(benzyl)-2'-deoxyadenosine (37113-47-6)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 - 20 ℃; for 2h;

Reference yield: 99.0%

2-deoxyinosine (890-38-0) + benzylamine (100-46-9) → (-)-N6-(benzyl)-2'-deoxyadenosine (37113-47-6)

Guidance literature:

With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 20h;

DOI:10.1021/ol052424+

Reference yield: 89.0%

6-chloropurine-2'-deoxyriboside (4594-45-0) + benzylamine (100-46-9) → (-)-N6-(benzyl)-2'-deoxyadenosine (37113-47-6)

Guidance literature:

With triethylamine; In ethanol; at 60 ℃; for 18h;

upstream raw materials:

2-deoxyinosine

benzylamine

N₆-benzoyl-2'-deoxyadenosine

9-((2-deoxy-β-D-erythro-pentofuranosyl)-6-imidazol-1-yl)purine

Downstream raw materials:

2'-deoxy-D-adenosine

6-benzyladenine