Einecs 266-611-1

Base Information

Chemical Name:Einecs 266-611-1
CAS No.:67221-73-2
Molecular Formula:C₆₂H₅₈Cl₂N₆O₁₇P₂
Molecular Weight:1292.03
Hs Code.:
European Community (EC) Number:266-611-1
DSSTox Substance ID:DTXSID001100306
Nikkaji Number:J310.216E

Synonyms:67221-73-2;EINECS 266-611-1;3'-Thymidylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)-2'-deoxycytidylyl-(3'.5')-, 4-chlorophenyl 2-cyanoethyl ester;DTXSID001100306;3'-Thymidylic acid, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-P-(4-chlorophenyl)-2'-deoxycytidylyl-(3'-->5')-, 4-chlorophenyl 2-cyanoethyl ester

Suppliers and Price of Einecs 266-611-1

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 266-611-1

Chemical Property:

XLogP3:8.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:26
Exact Mass:1290.2710738
Heavy Atom Count:89
Complexity:2640

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(OC3CC(OC3COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)N7C=CC(=NC7=O)NC(=O)C8=CC=CC=C8)OC9=CC=C(C=C9)Cl)OP(=O)(OCCC#N)OC1=CC=C(C=C1)Cl
Isomeric SMILES:CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O[C@H]3C[C@@H](O[C@@H]3COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)N7C=CC(=NC7=O)NC(=O)C8=CC=CC=C8)OC9=CC=C(C=C9)Cl)OP(=O)(OCCC#N)OC1=CC=C(C=C1)Cl

Technology Process of Einecs 266-611-1

There total 7 articles about Einecs 266-611-1 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:

: 69507-62-6
(p-chlorophenyl) (β-cyanoethyl) phosphorochloridate

: 67221-73-2
N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)-2'-deoxycytidylyl-(3'->5')-3'-thymidylic acid, 4-chlorophenyl 2-cyanoethyl ester

Guidance literature:: Multi-step reaction with 3 steps

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

2: 2percent benzenesulfonic acid / CHCl₃; methanol

3: 1-(mesitylsulfonyl)tetrazole / pyridine / 0.75 h / Ambient temperature

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

Reference yield:

: 67219-55-0
4-N-Benzoyl-2'-deoxy-5'-O-(4,4'-dimethoxytrityl)cytidine

: 67221-73-2
N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)-2'-deoxycytidylyl-(3'->5')-3'-thymidylic acid, 4-chlorophenyl 2-cyanoethyl ester

Guidance literature:: Multi-step reaction with 2 steps

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

2: 1-(mesitylsulfonyl)tetrazole / pyridine / 0.75 h / Ambient temperature

With pyridine; 1-mesitylsulfonyl-1H-tetrazole; ammonium bicarbonate; In pyridine;

Reference yield:

: 67221-57-2
5'-O-(dimethoxytrityl)thymidine 3'-(p-chlorphenylcyanoethyl phosphate)

: 67221-73-2
N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)-2'-deoxycytidylyl-(3'->5')-3'-thymidylic acid, 4-chlorophenyl 2-cyanoethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 2percent benzenesulfonic acid / CHCl₃; methanol

2: 1-(mesitylsulfonyl)tetrazole / pyridine / 0.75 h / Ambient temperature

With 1-mesitylsulfonyl-1H-tetrazole; benzenesulfonic acid; In pyridine; methanol; chloroform;