N(6)-(2-(3,5-Dimethoxyphenyl)-2-(2-methylphenyl)ethyl)adenosine

Base Information

• Chemical Name: N(6)-(2-(3,5-Dimethoxyphenyl)-2-(2-methylphenyl)ethyl)adenosine
• CAS No.: 120442-40-2
• Molecular Formula: C27H31 N5 O6
• Molecular Weight: 521.573
• Hs Code.: 2942000000
• DSSTox Substance ID: DTXSID70923398
• Mol file: 120442-40-2.mol

Synonyms:CGS 24012;CGS-24012;DPMA;DPMPEA;N(6)-(2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)ethyl)adenosine;PD 125944;PD-125944

Chemical Property of N(6)-(2-(3,5-Dimethoxyphenyl)-2-(2-methylphenyl)ethyl)adenosine

Chemical Property:

• Vapor Pressure: 1.01E-28mmHg at 25°C
• Boiling Point: 823.7°Cat760mmHg
• Flash Point: 451.9°C
• PSA: 144.01000
• Density: 1.43g/cm³
• LogP: 2.08040
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 521.22743373
• Heavy Atom Count: 38
• Complexity: 741

Purity/Quality:

97% ^*data from raw suppliers

Adenosine,N-[2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]- 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O)C5=CC(=CC(=C5)OC)OC
• Isomeric SMILES: CC1=CC=CC=C1C(CNC2=C3C(=NC=N2)N(C=N3)C4[C@@H]([C@@H]([C@H](O4)CO)O)O)C5=CC(=CC(=C5)OC)OC

Technology Process of N(6)-(2-(3,5-Dimethoxyphenyl)-2-(2-methylphenyl)ethyl)adenosine

There total 5 articles about N(6)-(2-(3,5-Dimethoxyphenyl)-2-(2-methylphenyl)ethyl)adenosine 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:

ortho-tolylmagnesium bromide (932-31-0) → N6-[2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)-ethyl]adenosine (120442-40-2)

Guidance literature:

Multi-step reaction with 3 steps

1: toluene; diethyl ether / -30 °C

2: LiAlH₄ / diethyl ether / 25 °C

3: NEt₃ / ethanol / Heating

With lithium aluminium tetrahydride; triethylamine; In diethyl ether; ethanol; toluene;

DOI:10.1021/jm00402a004

Reference yield:

3,5-dimethoxybenzaldehdye (7311-34-4) → N6-[2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)-ethyl]adenosine (120442-40-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 1.) NaOH, 2.) MsCl, NEt₃

2: toluene; diethyl ether / -30 °C

3: LiAlH₄ / diethyl ether / 25 °C

4: NEt₃ / ethanol / Heating

With sodium hydroxide; lithium aluminium tetrahydride; methanesulfonyl chloride; triethylamine; In diethyl ether; ethanol; toluene;

DOI:10.1021/jm00402a004

Reference yield:

trans-1-(3,5-Dimethoxyphenyl)-2-nitroethylene (86255-43-8) → N6-[2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)-ethyl]adenosine (120442-40-2)

Guidance literature:

Multi-step reaction with 3 steps

1: toluene; diethyl ether / -30 °C

2: LiAlH₄ / diethyl ether / 25 °C

3: NEt₃ / ethanol / Heating

With lithium aluminium tetrahydride; triethylamine; In diethyl ether; ethanol; toluene;

DOI:10.1021/jm00402a004

upstream raw materials:

6-Chloropurine riboside

2-(2-methylphenyl)-2-(3,5-dimethoxyphenyl)ethylamine

ortho-tolylmagnesium bromide

3,5-dimethoxybenzaldehdye