Einecs 275-468-4

Base Information

Chemical Name:Einecs 275-468-4
CAS No.:71459-59-1
Molecular Formula:C₇₀H₆₁Cl₂N₁₁O₁₅P₂
Molecular Weight:1429.17
Hs Code.:
European Community (EC) Number:275-468-4
DSSTox Substance ID:DTXSID001099353
Nikkaji Number:J295.021I

Synonyms:EINECS 275-468-4;71459-59-1;3'-Adenylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)-2'-deoxyadenylyl-(3'.5')-N-benzoyl-2'-deoxy-,4-chlorophenyl 2-cyanoethyl ester;DTXSID001099353

Suppliers and Price of Einecs 275-468-4

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 3 raw suppliers

Chemical Property of Einecs 275-468-4

Chemical Property:

XLogP3:10.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:28
Exact Mass:1427.3200897
Heavy Atom Count:100
Complexity:2720

Purity/Quality:: 99% ^*data from raw suppliers

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(CC(O4)N5C=NC6=C(N=CN=C65)NC(=O)C7=CC=CC=C7)OP(=O)(OCC8C(CC(O8)N9C=NC1=C(N=CN=C19)NC(=O)C1=CC=CC=C1)OP(=O)(OCCC#N)OC1=CC=C(C=C1)Cl)OC1=CC=C(C=C1)Cl
Isomeric SMILES:COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=NC6=C(N=CN=C65)NC(=O)C7=CC=CC=C7)OP(=O)(OC[C@@H]8[C@H](C[C@@H](O8)N9C=NC1=C(N=CN=C19)NC(=O)C1=CC=CC=C1)OP(=O)(OCCC#N)OC1=CC=C(C=C1)Cl)OC1=CC=C(C=C1)Cl

Technology Process of Einecs 275-468-4

There total 7 articles about Einecs 275-468-4 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: 70.0%

: 67221-64-1
N-benzoyl-2'-deoxy-3'-adenylic acid, 4-chlorophenyl 2-cyanoethyl ester

: 71100-59-9
C₄₄H₃₈ClN₅O₉P^(1-)

: 71459-59-1
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

Guidance literature:: With 1-mesitylsulfonyl-1H-tetrazole; In pyridine; for 0.75h; Ambient temperature;

Reference yield:

: 64325-78-6
N₆-benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyadenosine

: 71459-59-1
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

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine, triazole / pyridine; dioxane / 1.) 0 deg C, 1 h; 2.) room temp., 1 h

2: mesitylenesulfonyl-4-nitroimidazolide / N-methylimidazole / pyridine / 3 h / Ambient temperature

With 1,2,3-triazole; mesitylenesulfonyl 4-nitro-imidazolide; triethylamine; 1-methyl-1H-imidazole; In 1,4-dioxane; pyridine;
DOI:10.1248/cpb.30.3951

Reference yield:

: 772-79-2
4-chlorophenylphosphorodichloridate

: 71459-59-1
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

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine, triazole / pyridine; dioxane / 1.) 0 deg C, 1 h; 2.) room temp., 1 h

2: mesitylenesulfonyl-4-nitroimidazolide / N-methylimidazole / pyridine / 3 h / Ambient temperature

With 1,2,3-triazole; mesitylenesulfonyl 4-nitro-imidazolide; triethylamine; 1-methyl-1H-imidazole; In 1,4-dioxane; pyridine;
DOI:10.1248/cpb.30.3951