1,4-Anhydro-2-(6-benzamido-9H-purin-9-yl)-5-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxypentitol

Base Information

• Chemical Name: 1,4-Anhydro-2-(6-benzamido-9H-purin-9-yl)-5-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxypentitol
• CAS No.: 215032-02-3
• Molecular Formula: C₃₈H₃₅N₅O₆
• Molecular Weight: 657.726
• DSSTox Substance ID: DTXSID00701848
• Mol file: 215032-02-3.mol

Synonyms:DTXSID00701848;1,4-Anhydro-2-(6-benzamido-9H-purin-9-yl)-5-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxypentitol;215032-02-3

Chemical Property of 1,4-Anhydro-2-(6-benzamido-9H-purin-9-yl)-5-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxypentitol

Chemical Property:

• XLogP3: 5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 657.25873385
• Heavy Atom Count: 49
• Complexity: 1020

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(C(CO4)N5C=NC6=C(N=CN=C65)NC(=O)C7=CC=CC=C7)O

Technology Process of 1,4-Anhydro-2-(6-benzamido-9H-purin-9-yl)-5-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxypentitol

There total 1 articles about 1,4-Anhydro-2-(6-benzamido-9H-purin-9-yl)-5-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxypentitol 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:

6-N-benzoyl-1'-deoxy-2'-isoadenosine + 4,4'-dimethoxytrityl chloride (40615-36-9) → N-(9-{(3R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-3-yl}-9H-purin-6-yl)-benzamide (215032-02-3)

Guidance literature:

With pyridine; for 2h;

DOI:10.1080/15257770500265703

Reference yield: 58.0%

N-(9-{(3R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-3-yl}-9H-purin-6-yl)-benzamide (215032-02-3) → Phosphoric acid (2R,3S,4R)-4-(6-benzoylamino-purin-9-yl)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-tetrahydro-furan-3-yl ester 2-chloro-phenyl ester (265137-13-1)

Guidance literature:

In tetrahydrofuran; at 0 ℃;

DOI:10.1016/S0960-894X(99)00677-0

Reference yield:

2-chlorophenyl phosphordi(1H-1-[1,2,4]triazolide) (72351-28-1) + N-(9-{(3R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-3-yl}-9H-purin-6-yl)-benzamide (215032-02-3) → N-benzoyl-5'-O-dimethoxytritylisodeoxyadenosine-3'-(2-chlorophenyl) sodium phosphate

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 2h;

DOI:10.1021/ja992528d

upstream raw materials:

4,4'-dimethoxytrityl chloride

Downstream raw materials:

Phosphoric acid (2R,3S,4R)-4-(6-benzoylamino-purin-9-yl)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-tetrahydro-furan-3-yl ester 2-chloro-phenyl ester

6-N-benzoyl-P-(2-cyanoethyl)-1'-deoxy-2'-isoadenylyl-(3'->5')-4-N,3'-O-dibenzoyl-1'-deoxy-2'-isocytidine

6-N-benzoyl-P-(2-cyanoethyl)-1'-deoxy-2'-isoadenylyl-(3'->5')-4-N,2'-O,3'-O-tribenzoylcytidine

6-N-benzoyl-P-(2-cyanoethyl)-1'-deoxy-2'-isoadenylyl-(3'->5')-3-N,2'-O-,3'-O-tribenzoyluridine