Einecs 266-610-6

Base Information

• Chemical Name: Einecs 266-610-6
• CAS No.: 67221-64-1
• Molecular Formula: C26H24 Cl N6 O7 P
• Molecular Weight: 598.939
• European Community (EC) Number: 266-610-6
• DSSTox Substance ID: DTXSID701149484
• Nikkaji Number: J310.215G

Synonyms:EINECS 266-610-6;67221-64-1;3'-Adenylic acid, N-benzoyl-2'-deoxy-, 4-chlorophenyl 2-cyanoethylester;SCHEMBL11055621;YAODQBJEBUFOER-SDHLMFEHSA-N;DTXSID701149484

Chemical Property of Einecs 266-610-6

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 598.1132618
• Heavy Atom Count: 41
• Complexity: 975

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO)OP(=O)(OCCC#N)OC5=CC=C(C=C5)Cl
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO)OP(=O)(OCCC#N)OC5=CC=C(C=C5)Cl

Technology Process of Einecs 266-610-6

There total 8 articles about Einecs 266-610-6 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: 83.0%

Phosphoric acid (2R,3S,5R)-5-(6-benzoylamino-purin-9-yl)-2-[(4-methoxy-phenyl)-diphenyl-methoxymethyl]-tetrahydro-furan-3-yl ester 4-chloro-phenyl ester 2-cyano-ethyl ester (80680-42-8) → N-benzoyl-2'-deoxy-3'-adenylic acid, 4-chlorophenyl 2-cyanoethyl ester (67221-64-1)

Guidance literature:

With acetic acid; for 4h;

DOI:10.1016/S0040-4039(01)81907-9

Reference yield:

5'-O-(dimethoxytrityl)-N-benzoyladenine 3'-(p-chlorophenylcyanoethyl phosphate) (57777-86-3) → N-benzoyl-2'-deoxy-3'-adenylic acid, 4-chlorophenyl 2-cyanoethyl ester (67221-64-1)

Guidance literature:

With benzenesulfonic acid; In methanol; chloroform;

Reference yield:

(p-chlorophenyl) (β-cyanoethyl) phosphorochloridate (69507-62-6) → N-benzoyl-2'-deoxy-3'-adenylic acid, 4-chlorophenyl 2-cyanoethyl ester (67221-64-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1-methylimidazole / acetonitrile / 2 h / 20 °C

2: 2percent benzenesulfonic acid / CHCl₃; methanol

With 1-methyl-1H-imidazole; benzenesulfonic acid; In methanol; chloroform; acetonitrile;

upstream raw materials:

Phosphoric acid (2R,3S,5R)-5-(6-benzoylamino-purin-9-yl)-2-[(4-methoxy-phenyl)-diphenyl-methoxymethyl]-tetrahydro-furan-3-yl ester 4-chloro-phenyl ester 2-cyano-ethyl ester

5'-O-(dimethoxytrityl)-N-benzoyladenine 3'-(p-chlorophenylcyanoethyl phosphate)

(p-chlorophenyl) (β-cyanoethyl) phosphorochloridate

N₆-benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyadenosine

Downstream raw materials:

N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)-2'-deoxycytidylyl-(3'->5')-N-benzoyl-2'-deoxy-3'-adenylic acid, 4-chlorophenyl 2-cyanoethyl ester

N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)-2'-deoxyadenylyl-(3'->5')-N-benzoyl-2'-deoxy-3'-adenylic acid, 4-chlorophenyl 2-cyanoethyl ester

dbzC<*>dbzAp(ClPh,CNEt)

C₄₉H₄₃Cl₂N₁₁O₁₃P₂

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