4-Chlorophenyl 2-cyanoethyl 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-P-(4-chlorophenyl)thymidylyl-(3'-->5')-3'-thymidylate

Base Information

Chemical Name:4-Chlorophenyl 2-cyanoethyl 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-P-(4-chlorophenyl)thymidylyl-(3'-->5')-3'-thymidylate
CAS No.:65062-67-1
Molecular Formula:C56H55Cl2N5O17P2
Molecular Weight:1202.93
Hs Code.:
DSSTox Substance ID:DTXSID501105387
Nikkaji Number:J286.641B

Synonyms:DTXSID501105387;4-Chlorophenyl 2-cyanoethyl 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-P-(4-chlorophenyl)thymidylyl-(3'-->5')-3'-thymidylate

Suppliers and Price of 4-Chlorophenyl 2-cyanoethyl 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-P-(4-chlorophenyl)thymidylyl-(3'-->5')-3'-thymidylate

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 4-Chlorophenyl 2-cyanoethyl 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-P-(4-chlorophenyl)thymidylyl-(3'-->5')-3'-thymidylate

Chemical Property:

XLogP3:7.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:24
Exact Mass:1201.2445247
Heavy Atom Count:82
Complexity:2410

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=C(C(=O)NC7=O)C)OP(=O)(OCCC#N)OC8=CC=C(C=C8)Cl)OC9=CC=C(C=C9)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=C(C(=O)NC7=O)C)OP(=O)(OCCC#N)OC8=CC=C(C=C8)Cl)OC9=CC=C(C=C9)Cl

Technology Process of 4-Chlorophenyl 2-cyanoethyl 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-P-(4-chlorophenyl)thymidylyl-(3'-->5')-3'-thymidylate

There total 4 articles about 4-Chlorophenyl 2-cyanoethyl 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-P-(4-chlorophenyl)thymidylyl-(3'-->5')-3'-thymidylate 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-)

: 65062-67-1
5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)thymidylyl-(3'->5')-3'-thymidylic 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

: 65062-67-1
5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)thymidylyl-(3'->5')-3'-thymidylic 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

: 65062-67-1
5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)thymidylyl-(3'->5')-3'-thymidylic 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;