((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid

Base Information

Chemical Name:((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid
CAS No.:117626-82-1
Molecular Formula:C₁₁H₁₆N₃O₉P
Molecular Weight:365.236
Hs Code.:
DSSTox Substance ID:DTXSID20922477
Wikidata:Q82896002
ChEMBL ID:CHEMBL3144070

Synonyms:117626-82-1;((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid;2-((((2R,3S,4R,5S)-5-(2-Amino-4-oxo-1,4-dihydropyrimidin-5-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)acetic acid;{[5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid;CHEMBL3144070;DTXSID20922477;1,4-Anhydro-5-O-[(carboxymethyl)(hydroxy)phosphoryl]-1-(4-hydroxy-2-imino-1,2-dihydropyrimidin-5-yl)pentitol;2-[[(2R,3S,4R,5S)-5-(2-amino-4-oxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid

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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 ((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:2.1g/cm³
XLogP3:-4.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:365.06241609
Heavy Atom Count:24
Complexity:649

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C(=O)NC(=N1)N)C2C(C(C(O2)COP(=O)(CC(=O)O)O)O)O
Isomeric SMILES:C1=C(C(=O)NC(=N1)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O)O

Technology Process of ((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid

There total 3 articles about ((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid 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:

: 66268-90-4
2-Amino-5-(2,3-O-isopropylidene)-β-D-ribofuranosyl-4(1H)-pyrimidinone

: 117626-82-1
{[(2R,3S,4R,5S)-5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 0.285 g / methanol / Heating

2: 2,4,6-triisopropylbenzenesulfonyl chloride, pyridine / 1.) 25 deg C, 2.) room temperature, overnight

3: 1.) 2 M NaOH, 2.) 80percent HCOOH / 1.) 25 deg C, 3 h, 2.) 1 h

With pyridine; sodium hydroxide; formic acid; 2,4,6-triisopropylphenylsulfonyl chloride; In methanol;
DOI:10.1021/jm00122a014

Reference yield:

: {[(3aR,4R,6S,6aS)-6-(2-Acetylamino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethoxy]-hydroxy-phosphoryl}-acetic acid ethyl ester

: 117626-82-1
{[(2R,3S,4R,5S)-5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid

Guidance literature:: With sodium hydroxide; formic acid; Yield given. Multistep reaction; 1.) 25 deg C, 3 h, 2.) 1 h;
DOI:10.1021/jm00122a014

Reference yield:

: 117626-89-8
2-Acetamido-5-(2,3-O-isopropylidene-β-D-ribofuranosyl)-4(1H)-pyrimidinone

: 117626-82-1
{[(2R,3S,4R,5S)-5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 2,4,6-triisopropylbenzenesulfonyl chloride, pyridine / 1.) 25 deg C, 2.) room temperature, overnight

2: 1.) 2 M NaOH, 2.) 80percent HCOOH / 1.) 25 deg C, 3 h, 2.) 1 h

With pyridine; sodium hydroxide; formic acid; 2,4,6-triisopropylphenylsulfonyl chloride;
DOI:10.1021/jm00122a014