((5-(6-Amino-2-oxo-5-vinyl-1,2,3,6-tetrahydropyridin-3-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid

Base Information

Chemical Name:((5-(6-Amino-2-oxo-5-vinyl-1,2,3,6-tetrahydropyridin-3-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid
CAS No.:117626-86-5
Molecular Formula:C₁₃H₁₅N₂O₁₀P*2Na
Molecular Weight:436.223
Hs Code.:
DSSTox Substance ID:DTXSID10922481

((5-(6-Amino-2-oxo-5-vinyl-1,2,3,6-tetrahydropyridin-3-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid

Synonyms:117626-86-5;((5-(6-Amino-2-oxo-5-vinyl-1,2,3,6-tetrahydropyridin-3-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid;DTXSID10922481;{[5-(6-Amino-2-oxo-5-vinyl-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid;1-(6-Amino-5-ethenyl-2-hydroxy-3,6-dihydropyridin-3-yl)-1,4-anhydro-5-O-[(carboxymethyl)(hydroxy)phosphoryl]pentitol;2-[[(2R,3S,4S,5S)-5-(2-amino-6-oxo-3-vinyl-2,5-dihydro-1H-pyridin-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-(6-Amino-2-oxo-5-vinyl-1,2,3,6-tetrahydropyridin-3-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid

Chemical Property:

XLogP3:-6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:392.09846725
Heavy Atom Count:26
Complexity:667

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CC1=CC(C(=O)NC1N)C2C(C(C(O2)COP(=O)(CC(=O)O)O)O)O
Isomeric SMILES:C=CC1=CC(C(=O)NC1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O)O

Technology Process of ((5-(6-Amino-2-oxo-5-vinyl-1,2,3,6-tetrahydropyridin-3-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid

There total 5 articles about ((5-(6-Amino-2-oxo-5-vinyl-1,2,3,6-tetrahydropyridin-3-yl)-3,4-dihydroxytetrahydro-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:

: 74886-33-2
5-Vinyl-1-arabinofuranosyluracil

: 117626-86-5
Sodium; {[(2R,3S,4S,5R)-5-(2,4-dioxo-5-vinyl-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetate

Guidance literature:: Multi-step reaction with 5 steps

1: pyridine / 4.5 h

2: pyridine / 24 h

3: 80percent aq. HCOOH / 4.5 h

4: dicyclohexylcarbodiimide / pyridine / Ambient temperature

5: 2 M NaOH / 2 h / Ambient temperature

With pyridine; sodium hydroxide; formic acid; dicyclohexyl-carbodiimide; In pyridine;
DOI:10.1021/jm00122a014

Reference yield:

: 117626-93-4
Acetic acid (2R,3S,4R,5R)-4-acetoxy-2-(2,4-dioxo-5-vinyl-3,4-dihydro-2H-pyrimidin-1-yl)-5-hydroxymethyl-tetrahydro-furan-3-yl ester

: 117626-86-5
Sodium; {[(2R,3S,4S,5R)-5-(2,4-dioxo-5-vinyl-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetate

Guidance literature:: Multi-step reaction with 2 steps

1: dicyclohexylcarbodiimide / pyridine / Ambient temperature

2: 2 M NaOH / 2 h / Ambient temperature

With sodium hydroxide; dicyclohexyl-carbodiimide; In pyridine;
DOI:10.1021/jm00122a014

Reference yield:

: 1-{(2R,3S,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3,4-dihydroxy-tetrahydro-furan-2-yl}-5-vinyl-1H-pyrimidine-2,4-dione

: 117626-86-5
Sodium; {[(2R,3S,4S,5R)-5-(2,4-dioxo-5-vinyl-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetate

Guidance literature:: Multi-step reaction with 4 steps

1: pyridine / 24 h

2: 80percent aq. HCOOH / 4.5 h

3: dicyclohexylcarbodiimide / pyridine / Ambient temperature

4: 2 M NaOH / 2 h / Ambient temperature

With pyridine; sodium hydroxide; formic acid; dicyclohexyl-carbodiimide; In pyridine;
DOI:10.1021/jm00122a014