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

Base Information

• Chemical Name: [(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] (4-chlorophenyl) hydrogen phosphate;N,N-diethylethanamine
• CAS No.: 65062-61-5
• Molecular Formula: C₃₇H₃₆ClN₂O₁₀P·C₆H₁₅N
• Molecular Weight: 836.319
• European Community (EC) Number: 265-360-5
• Mol file: 65062-61-5.mol

Synonyms:EINECS 265-360-5;65062-61-5

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

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 16
• Exact Mass: 835.3000595
• Heavy Atom Count: 58
• Complexity: 1260

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.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)(O)OC6=CC=C(C=C6)Cl
• Isomeric SMILES: CCN(CC)CC.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)(O)OC6=CC=C(C=C6)Cl

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

There total 2 articles about [(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] (4-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:

5'-O-(dimethoxytrityl)thymidine 3'-(p-chlorphenylcyanoethyl phosphate) (67221-57-2) → 4-chlorophenyl 5'-O-(4,4'-dimethoxytrityl)thymidin-3'-yl phosphate triethylammonium salt (65062-61-5)

Guidance literature:

With water; triethylamine; In pyridine; Ambient temperature;

DOI:10.1021/jo00199a039

Reference yield:

C74H70Cl2N4O19P2 (93403-69-1) → 4-chlorophenyl 5'-O-(4,4'-dimethoxytrityl)thymidin-3'-yl phosphate triethylammonium salt (65062-61-5)

Guidance literature:

With mesitylene sulfonic acid;

DOI:10.1021/jo00199a039

Reference yield: 94.0%

4-chlorophenyl 5'-O-(4,4'-dimethoxytrityl)thymidin-3'-yl phosphate triethylammonium salt (65062-61-5) + 3'-O-benzoylthymidine (17331-53-2) → C54H52ClN4O15P (71459-54-6)

Guidance literature:

With 1-methyl-1H-imidazole; <(6-Nitrobenzotriazol-1-yl)oxy>tris(dimethylamino)phosphonium hexafluorophosphate; In pyridine; for 0.25h; Ambient temperature;

DOI:10.1080/15257779408011879

upstream raw materials:

5'-O-(dimethoxytrityl)thymidine 3'-(p-chlorphenylcyanoethyl phosphate)

C₇₄H₇₀Cl₂N₄O₁₉P₂

Downstream raw materials:

5'-O-(dimethoxytrityl)thymidine 3'-(p-chlorophenyl phosphoro-1,2,4-triazolide)

5'-O-(dimethoxytrityl)thymidine 3'-(p-chlorophenyl phosphorotetrazolide)

C₄₆H₄₆ClN₂O₁₂PS

C₇₄H₇₀Cl₂N₄O₁₉P₂

Refernces