Einecs 266-608-5

Base Information

Chemical Name:Einecs 266-608-5
CAS No.:67221-58-3
Molecular Formula:C₆₃H₅₈Cl₂N₈O₁₆P₂
Molecular Weight:1316.05
Hs Code.:
European Community (EC) Number:266-608-5
DSSTox Substance ID:DTXSID801100324
Nikkaji Number:J310.214I

Synonyms:EINECS 266-608-5;67221-58-3;3'-Adenylic acid, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)thymidylyl-(3'.5')-N-benzoyl-2'-deoxy-, 4-chlorophenyl 2-cyanoethyl ester;DTXSID801100324;3'-Adenylic acid, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-P-(4-chlorophenyl)thymidylyl-(3'-->5')-N-benzoyl-2'-deoxy-, 4-chlorophenyl 2-cyanoethyl ester

Suppliers and Price of Einecs 266-608-5

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
Packaging
price

Total 3 raw suppliers

Chemical Property of Einecs 266-608-5

Chemical Property:

XLogP3:8.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:20
Rotatable Bond Count:26
Exact Mass:1314.2823072
Heavy Atom Count:91
Complexity:2570

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=O)(OCC6C(CC(O6)N7C=NC8=C(N=CN=C87)NC(=O)C9=CC=CC=C9)OP(=O)(OCCC#N)OC1=CC=C(C=C1)Cl)OC1=CC=C(C=C1)Cl
Isomeric SMILES:CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=O)(OC[C@@H]6[C@H](C[C@@H](O6)N7C=NC8=C(N=CN=C87)NC(=O)C9=CC=CC=C9)OP(=O)(OCCC#N)OC1=CC=C(C=C1)Cl)OC1=CC=C(C=C1)Cl

Technology Process of Einecs 266-608-5

There total 4 articles about Einecs 266-608-5 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:

: 71100-57-7
C₃₇H₃₅ClN₂O₁₀P^(1-)

: 67221-58-3
5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)thymidylyl-(3'->5')-N-benzoyl-2'-deoxy-3'-adenylic acid, 4-chlorophenyl 2-cyanoethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 1-(mesitylsulfonyl)tetrazole / pyridine / 1 h / Ambient temperature

2: 1-methylimidazole / pyridine; acetonitrile / 1 h / Ambient temperature

With 1-methyl-1H-imidazole; 1-mesitylsulfonyl-1H-tetrazole; In pyridine; acetonitrile;

Reference yield:

: 62420-37-5
(p-chlorophenyl) di(1,2,4-triazolido)phosphate

: 67221-58-3
5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)thymidylyl-(3'->5')-N-benzoyl-2'-deoxy-3'-adenylic acid, 4-chlorophenyl 2-cyanoethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) pyridine; 2.) 5percent aq. NH₄HCO₃ / 1.) dioxane, 30 min at room temp.; 2.) dioxane, cooling

2: 1-(mesitylsulfonyl)tetrazole / pyridine / 1 h / Ambient temperature

3: 1-methylimidazole / pyridine; acetonitrile / 1 h / Ambient temperature

With pyridine; 1-methyl-1H-imidazole; 1-mesitylsulfonyl-1H-tetrazole; ammonium bicarbonate; In pyridine; acetonitrile;

Reference yield:

: 40615-39-2
5'-O-(4-4'-dimethoxytrityl)thymidine

: 67221-58-3
5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)thymidylyl-(3'->5')-N-benzoyl-2'-deoxy-3'-adenylic acid, 4-chlorophenyl 2-cyanoethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) pyridine; 2.) 5percent aq. NH₄HCO₃ / 1.) dioxane, 30 min at room temp.; 2.) dioxane, cooling

2: 1-(mesitylsulfonyl)tetrazole / pyridine / 1 h / Ambient temperature

3: 1-methylimidazole / pyridine; acetonitrile / 1 h / Ambient temperature

With pyridine; 1-methyl-1H-imidazole; 1-mesitylsulfonyl-1H-tetrazole; ammonium bicarbonate; In pyridine; acetonitrile;