1-[(4aR,6R,7aS)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-hexyl-pyrimidine-2,4-dione

Base Information

Chemical Name:1-[(4aR,6R,7aS)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-hexyl-pyrimidine-2,4-dione
CAS No.:99606-25-4
Molecular Formula:C₁₅H₂₃N₂O₇P*H₃N
Molecular Weight:391.361
Hs Code.:
ChEMBL ID:CHEMBL3304212
DSSTox Substance ID:DTXSID10912605
Wikidata:Q82882927

Synonyms:99606-25-4;CHEMBL3304212;DTXSID10912605;1-[(4aR,6R,7aS)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-hexyl-pyrimidine-2,4-dione;5-Hexyl-4-hydroxy-1-(2-hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)pyrimidin-2(1H)-one

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

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Chemical Property of 1-[(4aR,6R,7aS)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-hexyl-pyrimidine-2,4-dione

Chemical Property:

Density:1.41g/cm³
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:374.12428807
Heavy Atom Count:25
Complexity:623

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCC1=CN(C(=O)NC1=O)C2CC3C(O2)COP(=O)(O3)O
Isomeric SMILES:CCCCCCC1=CN(C(=O)NC1=O)[C@H]2C[C@H]3[C@H](O2)COP(=O)(O3)O

Technology Process of 1-[(4aR,6R,7aS)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-hexyl-pyrimidine-2,4-dione

There total 2 articles about 1-[(4aR,6R,7aS)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-hexyl-pyrimidine-2,4-dione 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:

: 57741-93-2
5-(hexyl)-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione

: 99606-25-4
5-n-hexyl-2'-deoxyuridine 3',5'-cyclic monophosphate ammonium salt

Guidance literature:: Multi-step reaction with 2 steps

1: 45 percent / phosphoryl chloride / various solvent(s) / 0 °C

2: 1.) N,N'-dicyclohexyl-4-morpholinecarboxamidine, pyridine, 2.) dicyclohexylcarbodiimide (DCC), pyridine / 1.) H₂O, 2.) reflux, 1.5 h

With pyridine; N,N'-dicyclohexyl-4-morpholine carboxamidine; dicyclohexyl-carbodiimide; trichlorophosphate; In various solvent(s);
DOI:10.1021/jm00154a012

Reference yield:

: 99606-19-6
5-n-hexyl-2'-deoxyuridine 5'-monophosphate diammonium salt

: 99606-25-4
5-n-hexyl-2'-deoxyuridine 3',5'-cyclic monophosphate ammonium salt

Guidance literature:: With pyridine; N,N'-dicyclohexyl-4-morpholine carboxamidine; dicyclohexyl-carbodiimide; Yield given. Multistep reaction; 1.) H₂O, 2.) reflux, 1.5 h;
DOI:10.1021/jm00154a012