3'-Cytidylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-, 4-chlorophenyl 2-cyanoethyl ester

Base Information

Chemical Name:3'-Cytidylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-, 4-chlorophenyl 2-cyanoethyl ester
CAS No.:57777-87-4
Molecular Formula:C46H42ClN4O10P
Molecular Weight:877.287
Hs Code.:
European Community (EC) Number:260-948-8
DSSTox Substance ID:DTXSID701107165
Nikkaji Number:J296.791J

Synonyms:EINECS 260-948-8;57777-87-4;3'-Cytidylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-, 4-chlorophenyl 2-cyanoethyl ester;3'-Cytidylic acid, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-, 4-chlorophenyl 2-cyanoethyl ester;CRXKQTAKRMFZQG-MAGPJGKGSA-N;DTXSID701107165

Suppliers and Price of 3'-Cytidylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-, 4-chlorophenyl 2-cyanoethyl ester

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 4 raw suppliers

Chemical Property of 3'-Cytidylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-, 4-chlorophenyl 2-cyanoethyl ester

Chemical Property:

PSA：179.27000
LogP:9.03798
XLogP3:6.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:18
Exact Mass:876.2327082
Heavy Atom Count:62
Complexity:1600

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)OP(=O)(OCCC#N)OC7=CC=C(C=C7)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=CC(=NC5=O)NC(=O)C6=CC=CC=C6)OP(=O)(OCCC#N)OC7=CC=C(C=C7)Cl

Technology Process of 3'-Cytidylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-, 4-chlorophenyl 2-cyanoethyl ester

There total 6 articles about 3'-Cytidylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-, 4-chlorophenyl 2-cyanoethyl ester 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

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

: 57777-87-4
N⁴-benzoyl-5'-O-(p,p'-dimethoxytrityl)deoxycytidine 3'-<(p-chlorophenyl)(β-cyanoethyl)phosphate>

Guidance literature:: With 1-methyl-1H-imidazole; In 1,4-dioxane; pyridine; for 0.5h; Yield given;
DOI:10.1055/s-1983-30312

Reference yield:

: 40615-36-9
4,4'-dimethoxytrityl chloride

: 57777-87-4
N⁴-benzoyl-5'-O-(p,p'-dimethoxytrityl)deoxycytidine 3'-<(p-chlorophenyl)(β-cyanoethyl)phosphate>

Guidance literature:: Multi-step reaction with 2 steps

1: pyridine / 1 h / Ambient temperature

2: methylimidazole / dioxane; pyridine / 0.5 h

With 1-methyl-1H-imidazole; In 1,4-dioxane; pyridine;
DOI:10.1055/s-1983-30312

Reference yield:

: 7396-95-4
2,4,5-Trichlorophenyl benzoate

: 57777-87-4
N⁴-benzoyl-5'-O-(p,p'-dimethoxytrityl)deoxycytidine 3'-<(p-chlorophenyl)(β-cyanoethyl)phosphate>

Guidance literature:: Multi-step reaction with 3 steps

1: pyridine / 7.5 h / 85 °C

2: pyridine / 1 h / Ambient temperature

3: methylimidazole / dioxane; pyridine / 0.5 h

With 1-methyl-1H-imidazole; In 1,4-dioxane; pyridine;
DOI:10.1055/s-1983-30312