2,4(1H,3H)-Pyrimidinedione, 5-octyl-1-((6R)-tetrahydro-2-hydroxy-2-oxido-4H-furo(3,2-d)-1,3,2-dioxaphosphorin-6-yl)-

Base Information

Chemical Name:2,4(1H,3H)-Pyrimidinedione, 5-octyl-1-((6R)-tetrahydro-2-hydroxy-2-oxido-4H-furo(3,2-d)-1,3,2-dioxaphosphorin-6-yl)-
CAS No.:99606-26-5
Molecular Formula:C₁₇H₂₇N₂O₇P*H₃N
Molecular Weight:419.415
Hs Code.:
ChEMBL ID:CHEMBL3301881
DSSTox Substance ID:DTXSID50912604
Wikidata:Q82882926

Synonyms:99606-26-5;2,4(1H,3H)-Pyrimidinedione, 5-octyl-1-((6R)-tetrahydro-2-hydroxy-2-oxido-4H-furo(3,2-d)-1,3,2-dioxaphosphorin-6-yl)-;2,4(1H,3H)-Pyrimidinedione, 5-octyl-1-[(6R)-tetrahydro-2-hydroxy-2-oxido-4H-furo[3,2-d]-1,3,2-dioxaphosphorin-6-yl]-;CHEMBL3301881;DTXSID50912604;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-octyl-pyrimidine-2,4-dione;4-Hydroxy-1-(2-hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-octylpyrimidin-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 2,4(1H,3H)-Pyrimidinedione, 5-octyl-1-((6R)-tetrahydro-2-hydroxy-2-oxido-4H-furo(3,2-d)-1,3,2-dioxaphosphorin-6-yl)-

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.35g/cm³
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:402.15558820
Heavy Atom Count:27
Complexity:653

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCC1=CN(C(=O)NC1=O)C2CC3C(O2)COP(=O)(O3)O
Isomeric SMILES:CCCCCCCCC1=CN(C(=O)NC1=O)[C@H]2C[C@H]3[C@H](O2)COP(=O)(O3)O

Technology Process of 2,4(1H,3H)-Pyrimidinedione, 5-octyl-1-((6R)-tetrahydro-2-hydroxy-2-oxido-4H-furo(3,2-d)-1,3,2-dioxaphosphorin-6-yl)-

There total 2 articles about 2,4(1H,3H)-Pyrimidinedione, 5-octyl-1-((6R)-tetrahydro-2-hydroxy-2-oxido-4H-furo(3,2-d)-1,3,2-dioxaphosphorin-6-yl)- 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:

: 96964-08-8
1-((2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-octyl-1H-pyrimidine-2,4-dione

: 99606-26-5
5-n-octyl-2'-deoxyuridine 3',5'-cyclic monophosphate ammonium salt

Guidance literature:: Multi-step reaction with 2 steps

1: 53 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:

: 99606-20-9
5-n-octyl-2'-deoxyuridine 5'-monophosphate diammonium salt

: 99606-26-5
5-n-octyl-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