2,4(1H,3H)-Pyrimidinedione, 1-(5-O-((carboxymethyl)hydroxyphosphinyl)-

Base Information

Chemical Name:2,4(1H,3H)-Pyrimidinedione, 1-(5-O-((carboxymethyl)hydroxyphosphinyl)-
CAS No.:117626-85-4
Molecular Formula:C₁₂H₁₅N₂O₁₀P*2Na
Molecular Weight:424.212
Hs Code.:
DSSTox Substance ID:DTXSID50922480

Synonyms:117627-14-2;2,4(1H,3H)-Pyrimidinedione, 1-(5-O-((carboxymethyl)hydroxyphosphinyl)-;DTXSID50922480;117626-85-4;{[5-(6-Amino-5-methyl-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid;1-(6-Amino-2-hydroxy-5-methyl-3,6-dihydropyridin-3-yl)-1,4-anhydro-5-O-[(carboxymethyl)(hydroxy)phosphoryl]pentitol;2-[[(2R,3S,4S,5S)-5-(2-amino-3-methyl-6-oxo-2,5-dihydro-1H-pyridin-5-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid

Suppliers and Price of 2,4(1H,3H)-Pyrimidinedione, 1-(5-O-((carboxymethyl)hydroxyphosphinyl)-

Supply Marketing:

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, 1-(5-O-((carboxymethyl)hydroxyphosphinyl)-

Chemical Property:

XLogP3:-6.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:380.09846725
Heavy Atom Count:25
Complexity:625

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(C(=O)NC1N)C2C(C(C(O2)COP(=O)(CC(=O)O)O)O)O
Isomeric SMILES: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 2,4(1H,3H)-Pyrimidinedione, 1-(5-O-((carboxymethyl)hydroxyphosphinyl)-

There total 5 articles about 2,4(1H,3H)-Pyrimidinedione, 1-(5-O-((carboxymethyl)hydroxyphosphinyl)- 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:

: {[(2R,3R,4S,5R)-3,4-Diacetoxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid ethyl ester

: 117626-85-4
Sodium; {[(2R,3S,4S,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetate

Guidance literature:: With sodium hydroxide; at 25 ℃; for 3h; Yield given;
DOI:10.1021/jm00122a014

Reference yield:

: 117626-92-3
Acetic acid (2R,3S,4R,5R)-4-acetoxy-5-hydroxymethyl-2-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester

: 117626-85-4
Sodium; {[(2R,3S,4S,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetate

Guidance literature:: Multi-step reaction with 2 steps

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

2: 2 M NaOH / 3 h / 25 °C

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

Reference yield:

: Acetic acid (2R,3R,4S,5R)-4-acetoxy-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester

: 117626-85-4
Sodium; {[(2R,3S,4S,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetate

Guidance literature:: Multi-step reaction with 3 steps

1: 80percent aq. HCOOH / 4.5 h

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

3: 2 M NaOH / 3 h / 25 °C

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