[(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(4-chlorophenoxy)phosphoryl]oxymethyl]oxolan-3-yl] (4-chlorophenyl) 2-cyanoethyl phosphate

Base Information

Chemical Name:[(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(4-chlorophenoxy)phosphoryl]oxymethyl]oxolan-3-yl] (4-chlorophenyl) 2-cyanoethyl phosphate
CAS No.:73591-22-7
Molecular Formula:C66H63 Cl2 N9 O17 P2
Molecular Weight:1387.13
Hs Code.:
European Community (EC) Number:277-544-2
DSSTox Substance ID:DTXSID401098771
Nikkaji Number:J295.241F

[(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(4-chlorophenoxy)phosphoryl]oxymethyl]oxolan-3-yl] (4-chlorophenyl) 2-cyanoethyl phosphate

Synonyms:73591-22-7;DTXSID401098771

Suppliers and Price of [(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(4-chlorophenoxy)phosphoryl]oxymethyl]oxolan-3-yl] (4-chlorophenyl) 2-cyanoethyl phosphate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 2 raw suppliers

Chemical Property of [(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(4-chlorophenoxy)phosphoryl]oxymethyl]oxolan-3-yl] (4-chlorophenyl) 2-cyanoethyl phosphate

Chemical Property:

PSA：335.74000
LogP:12.36850
XLogP3:8.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:20
Rotatable Bond Count:28
Exact Mass:1385.3194210
Heavy Atom Count:96
Complexity:2860

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2C3CC(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(=O)(OCC7C(CC(O7)N8C=CC(=NC8=O)NC(=O)C9=CC=CC=C9)OP(=O)(OCCC#N)OC1=CC=C(C=C1)Cl)OC1=CC=C(C=C1)Cl
Isomeric SMILES:CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(=O)(OC[C@@H]7[C@H](C[C@@H](O7)N8C=CC(=NC8=O)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 [(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(4-chlorophenoxy)phosphoryl]oxymethyl]oxolan-3-yl] (4-chlorophenyl) 2-cyanoethyl phosphate

There total 6 articles about [(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(4-chlorophenoxy)phosphoryl]oxymethyl]oxolan-3-yl] (4-chlorophenyl) 2-cyanoethyl phosphate 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:

: 68892-41-1
5'-O-dimethoxytrityl-N-isobutyryldeoxyguanosine

: 73591-22-7
5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)-2'-deoxy-N-(2-methyl-1-oxopropyl)guanylyl-(3'->5')-N-benzoyl-2'-deoxy-3'-cytidylic 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:

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

: 73591-22-7
5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)-2'-deoxy-N-(2-methyl-1-oxopropyl)guanylyl-(3'->5')-N-benzoyl-2'-deoxy-3'-cytidylic 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:

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

: 73591-22-7
5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)-2'-deoxy-N-(2-methyl-1-oxopropyl)guanylyl-(3'->5')-N-benzoyl-2'-deoxy-3'-cytidylic 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;