[(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl] (2-chlorophenyl) hydrogen phosphate;N,N-diethylethanamine

Base Information

• Chemical Name: [(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl] (2-chlorophenyl) hydrogen phosphate;N,N-diethylethanamine
• CAS No.: 85381-24-4
• Molecular Formula: C₄₃H₃₉ClN₃O₁₀P.C₆H₁₅N
• Molecular Weight: 925.415
• European Community (EC) Number: 286-752-2
• Mol file: 85381-24-4.mol

Synonyms:EINECS 286-752-2;85381-24-4

Chemical Property of [(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl] (2-chlorophenyl) hydrogen phosphate;N,N-diethylethanamine

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 18
• Exact Mass: 924.3266086
• Heavy Atom Count: 65
• Complexity: 1480

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CC.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)(O)OC7=CC=CC=C7Cl
• Isomeric SMILES: CCN(CC)CC.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)(O)OC7=CC=CC=C7Cl

Technology Process of [(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl] (2-chlorophenyl) hydrogen phosphate;N,N-diethylethanamine

There total 1 articles about [(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl] (2-chlorophenyl) hydrogen phosphate;N,N-diethylethanamine 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:

triethylamine carbonate (15715-58-9) + 4-N-Benzoyl-2'-deoxy-5'-O-(4,4'-dimethoxytrityl)cytidine (67219-55-0) + 2-chlorophenyl dichlorophosphate (15074-54-1) → 5'-O-(dimethoxytrityl)-N-benzoyl-2'-deoxycytidine 3'-(o-chlorophenyl) phosphate triethylammonium salt (85381-24-4)

Guidance literature:

4-N-Benzoyl-2'-deoxy-5'-O-(4,4'-dimethoxytrityl)cytidine; 2-chlorophenyl dichlorophosphate; With pyridine; 1,2,3-triazole; In dichloromethane; at 0 ℃; for 2.5h;

triethylamine carbonate; With water; In dichloromethane; Further stages.;

DOI:10.1080/15257770701426260

Reference yield: 83.0%

5'-O-(dimethoxytrityl)-N-benzoyl-2'-deoxycytidine 3'-(o-chlorophenyl) phosphate triethylammonium salt (85381-24-4) + N4-benzoyl-2'-deoxycytidine-3'-O-(2-chlorophenyl-2-cyanoethyl)phosphate (80817-38-5) → N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(2-chlorophenyl)-2'-deoxycytidylyl-(3'->5')-N-benzoyl-2'-deoxy-3'-cytidylic acid, 2-chlorophenyl 2-cyanoethyl ester (75251-87-5)

Guidance literature:

With 1-methyl-1H-imidazole; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; In pyridine; for 0.5h; Ambient temperature;

DOI:10.1016/S0040-4039(00)98833-6

Reference yield: 77.0%

5'-O-(dimethoxytrityl)-N-benzoyl-2'-deoxycytidine 3'-(o-chlorophenyl) phosphate triethylammonium salt (85381-24-4) + 3'-O-benzoyl-N2-isobutyryl-2'-deoxyguanosine (63660-23-1) → C64H60ClN8O15P (99388-91-7)

Guidance literature:

With 1-methyl-1H-imidazole; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; In pyridine; for 0.5h;

DOI:10.1016/S0040-4039(00)98833-6

upstream raw materials:

triethylamine carbonate

4-N-Benzoyl-2'-deoxy-5'-O-(4,4'-dimethoxytrityl)cytidine

2-chlorophenyl dichlorophosphate

Downstream raw materials:

Phosphoric acid (2R,3S,5R)-5-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-tetrahydro-furan-3-yl ester 2-chloro-phenyl ester 2,5-dimethoxy-2,5-dihydro-furan-2-ylmethyl ester

C₆₄H₆₀ClN₈O₁₅P

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

Refernces