4-oxo-pentanoic acid 2-[[2-acetoxymethyl-5-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yloxy]-(2-cyano-ethylsulfanyl)-phosphoryloxymethyl]-5-[6-(2,5-dichloro-phenoxy)-2-isobutyrylamino-purin-9-yl]-tetrahydro-furan-3-yl ester

Base Information

• Chemical Name: 4-oxo-pentanoic acid 2-[[2-acetoxymethyl-5-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yloxy]-(2-cyano-ethylsulfanyl)-phosphoryloxymethyl]-5-[6-(2,5-dichloro-phenoxy)-2-isobutyrylamino-purin-9-yl]-tetrahydro-furan-3-yl ester
• CAS No.: 544710-52-3
• Molecular Formula: C₄₆H₄₈Cl₂N₉O₁₄PS
• Molecular Weight: 1084.88

Synonyms:

Chemical Property of 4-oxo-pentanoic acid 2-[[2-acetoxymethyl-5-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yloxy]-(2-cyano-ethylsulfanyl)-phosphoryloxymethyl]-5-[6-(2,5-dichloro-phenoxy)-2-isobutyrylamino-purin-9-yl]-tetrahydro-furan-3-yl ester

Chemical Property:

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Useful:

Technology Process of 4-oxo-pentanoic acid 2-[[2-acetoxymethyl-5-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yloxy]-(2-cyano-ethylsulfanyl)-phosphoryloxymethyl]-5-[6-(2,5-dichloro-phenoxy)-2-isobutyrylamino-purin-9-yl]-tetrahydro-furan-3-yl ester

There total 4 articles about 4-oxo-pentanoic acid 2-[[2-acetoxymethyl-5-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yloxy]-(2-cyano-ethylsulfanyl)-phosphoryloxymethyl]-5-[6-(2,5-dichloro-phenoxy)-2-isobutyrylamino-purin-9-yl]-tetrahydro-furan-3-yl 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:

C37H35N3O9P(1-) → 4-oxo-pentanoic acid 2-[[2-acetoxymethyl-5-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yloxy]-(2-cyano-ethylsulfanyl)-phosphoryloxymethyl]-5-[6-(2,5-dichloro-phenoxy)-2-isobutyrylamino-purin-9-yl]-tetrahydro-furan-3-yl ester (544710-52-3)

Guidance literature:

Multi-step reaction with 3 steps

1: (PhO)2POCl; C₅H₅N / 20 °C

2: Cl₂CHCO₂H; pyrrole / CH₂Cl₂ / 20 °C

3: C₅H₅N / 20 °C

With pyridine; dichloro-acetic acid; pyrrole; chlorophosphoric acid diphenyl ester; In dichloromethane;

DOI:10.1016/S0040-4039(03)00322-8

Reference yield:

2'-deoxy-6-O-(2,5-dichlorophenyl)-2-N-isobutyryl-3'-O-levulinylguanosine (199436-66-3) → 4-oxo-pentanoic acid 2-[[2-acetoxymethyl-5-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yloxy]-(2-cyano-ethylsulfanyl)-phosphoryloxymethyl]-5-[6-(2,5-dichloro-phenoxy)-2-isobutyrylamino-purin-9-yl]-tetrahydro-furan-3-yl ester (544710-52-3)

Guidance literature:

Multi-step reaction with 3 steps

1: (PhO)2POCl; C₅H₅N / 20 °C

2: Cl₂CHCO₂H; pyrrole / CH₂Cl₂ / 20 °C

3: C₅H₅N / 20 °C

With pyridine; dichloro-acetic acid; pyrrole; chlorophosphoric acid diphenyl ester; In dichloromethane;

DOI:10.1016/S0040-4039(03)00322-8

Reference yield:

C65H64Cl2N9O15PS (356535-42-7) → 4-oxo-pentanoic acid 2-[[2-acetoxymethyl-5-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yloxy]-(2-cyano-ethylsulfanyl)-phosphoryloxymethyl]-5-[6-(2,5-dichloro-phenoxy)-2-isobutyrylamino-purin-9-yl]-tetrahydro-furan-3-yl ester (544710-52-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Cl₂CHCO₂H; pyrrole / CH₂Cl₂ / 20 °C

2: C₅H₅N / 20 °C

With pyridine; dichloro-acetic acid; pyrrole; In dichloromethane;

DOI:10.1016/S0040-4039(03)00322-8

upstream raw materials:

acetic anhydride

4-oxo-pentanoic acid 2-[[5-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy]-(2-cyano-ethylsulfanyl)-phosphoryloxymethyl]-5-[6-(2,5-dichloro-phenoxy)-2-isobutyrylamino-purin-9-yl]-tetrahydro-furan-3-yl ester

2'-deoxy-6-O-(2,5-dichlorophenyl)-2-N-isobutyryl-3'-O-levulinylguanosine

C₆₅H₆₄Cl₂N₉O₁₅PS

Downstream raw materials:

deoxycytidylyl-(3',5')-guanosine sodium salt

4-oxo-pentanoic acid 2-{[2-acetoxymethyl-5-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yloxy]-cyanomethylsulfanyl-phosphoryloxymethyl}-5-[6-(2,5-dichloro-phenoxy)-2-isobutyrylamino-purin-9-yl]-tetrahydro-furan-3-yl ester

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