ethyl (E)-3-[4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate

Base Information

Chemical Name:ethyl (E)-3-[4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate
CAS No.:95740-12-8
Molecular Formula:C₁₄H₁₈FN₃O₆
Molecular Weight:343.312
Hs Code.:
ChEMBL ID:CHEMBL2368295
Mol file:95740-12-8.mol

Synonyms:95740-12-8;1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5(E)-(2-ethoxycarbonyl0vinyl)cytosine;(E)-Ethyl 3-(4-amino-1-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-5-yl)acrylate;ethyl (E)-3-[4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate;CHEMBL2368295;1-(2-Deoxy-2-fluoro-.beta.-D-arabinofuranosyl)-5(E)-[2-ethoxycarbonyl0vinyl]cytosine;ethyl (E)-3-[1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-imino-2-oxo-pyrimidin-5-yl]prop-2-enoate

Suppliers and Price of ethyl (E)-3-[4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of ethyl (E)-3-[4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate

Chemical Property:

Vapor Pressure:4.15E-15mmHg at 25°C
Boiling Point:564.8°C at 760 mmHg
Flash Point:295.4°C
Density:1.57g/cm³
XLogP3:-0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:343.11796346
Heavy Atom Count:24
Complexity:605

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C=CC1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)F
Isomeric SMILES:CCOC(=O)/C=C/C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F

Technology Process of ethyl (E)-3-[4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate

There total 2 articles about ethyl (E)-3-[4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate 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: 37.0%

: 69123-90-6
fiacitabine

: 140-88-5,9003-32-1
ethyl acrylate

: 95740-12-8
1-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-5(E)-<2-(ethoxycarbonyl)vinyl>cytosine

Guidance literature:: With palladium diacetate; triethylamine; triphenylphosphine; In N,N-dimethyl-formamide; at 85 ℃; for 24h;
DOI:10.1021/jm00383a009