{[5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid

Base Information

Chemical Name:{[5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid
CAS No.:117626-83-2
Molecular Formula:C₁₁H₁₂BrN₂O₁₀P*2Na
Molecular Weight:489.081
Hs Code.:
DSSTox Substance ID:DTXSID80922478

{[5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid

Synonyms:DTXSID80922478;{[5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid;1-(6-Amino-5-bromo-2-hydroxy-3,6-dihydropyridin-3-yl)-1,4-anhydro-5-O-[(carboxymethyl)(hydroxy)phosphoryl]pentitol;2-[[(2R,3S,4S,5S)-5-(2-amino-3-bromo-6-oxo-2,5-dihydro-1H-pyridin-5-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid

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Chemical Property of {[5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid

Chemical Property:

XLogP3:-5.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:443.99333
Heavy Atom Count:25
Complexity:630

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=C(C(NC(=O)C1C2C(C(C(O2)COP(=O)(CC(=O)O)O)O)O)N)Br
Isomeric SMILES:C1=C(C(NC(=O)C1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O)O)N)Br

Technology Process of {[5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid

There total 3 articles about {[5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-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:

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

: 117626-83-2
Sodium; {[(2R,3S,4S,5R)-5-(5-bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetate

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

Reference yield:

: 21016-88-6
2',3'-di-O-acetyl-1-β-D-arabinofuranosyluracil

: 117626-83-2
Sodium; {[(2R,3S,4S,5R)-5-(5-bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetate

Guidance literature:: Multi-step reaction with 3 steps

1: 61 percent / N-bromosuccinimide / dimethylformamide

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; N-Bromosuccinimide; 2,4,6-triisopropylphenylsulfonyl chloride; In N,N-dimethyl-formamide;
DOI:10.1021/jm00122a014

Reference yield:

: 117626-90-1
Acetic acid (2R,3S,4R,5R)-4-acetoxy-2-(5-bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-5-hydroxymethyl-tetrahydro-furan-3-yl ester

: 117626-83-2
Sodium; {[(2R,3S,4S,5R)-5-(5-bromo-2,4-dioxo-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: 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