Einecs 266-609-0

Base Information

Chemical Name:Einecs 266-609-0
CAS No.:67221-59-4
Molecular Formula:C63H58 Cl2 N8 O16 P2
Molecular Weight:1316.05
Hs Code.:
European Community (EC) Number:266-609-0
DSSTox Substance ID:DTXSID201100376
Nikkaji Number:J317.098E

Synonyms:EINECS 266-609-0;67221-59-4;3'-Thymidylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)-2'-deoxyadenylyl-(3'.5')-, 4-chlorophenyl 2-cyanoethyl ester;DTXSID201100376;3'-Thymidylic acid, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-P-(4-chlorophenyl)-2'-deoxyadenylyl-(3'-->5')-, 4-chlorophenyl 2-cyanoethyl ester

Suppliers and Price of Einecs 266-609-0

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 5 raw suppliers

Chemical Property of Einecs 266-609-0

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)COP(=O)(OC3CC(OC3COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)N7C=NC8=C(N=CN=C87)NC(=O)C9=CC=CC=C9)OC1=CC=C(C=C1)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=NC8=C(N=CN=C87)NC(=O)C9=CC=CC=C9)OC1=CC=C(C=C1)Cl)OP(=O)(OCCC#N)OC1=CC=C(C=C1)Cl

Technology Process of Einecs 266-609-0

There total 10 articles about Einecs 266-609-0 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: 82.0%

: 71100-59-9
C₄₄H₃₈ClN₅O₉P^(1-)

: 57777-78-3
thymidine-3'-p-chlorophenyl-β-cyanoethyl-phosphate

: 67221-59-4
N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)-2'-deoxyadenylyl-(3'->5')-3'-thymidylic 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

: 67221-59-4
N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)-2'-deoxyadenylyl-(3'->5')-3'-thymidylic 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

: 67221-59-4
N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)-2'-deoxyadenylyl-(3'->5')-3'-thymidylic 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