(Benzyloxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester

Base Information

• Chemical Name: (Benzyloxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester
• CAS No.: 115365-30-5
• Molecular Formula: C19H22 Cl N2 O9 P
• Molecular Weight: 488.8127
• ChEMBL ID: CHEMBL3144438
• DSSTox Substance ID: DTXSID90921694
• Wikidata: Q82894694
• Mol file: 115365-30-5.mol

Synonyms:115365-30-5;(Benzyloxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester;CHEMBL3144438;DTXSID90921694;(Benxyloxycarbonyl) phosphonic acid 1-[5-(2-chloro-ethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-deoxy-Beta-D-erythro-pentofuranos-5-yl ester;1-(5-O-{[(Benzyloxy)carbonyl](hydroxy)phosphoryl}-2-deoxypentofuranosyl)-5-(2-chloroethyl)-4-hydroxypyrimidin-2(1H)-one;benzyloxycarbonyl-[[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy]phosphinic acid

Chemical Property of (Benzyloxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.511g/cm³
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 488.0751450
• Heavy Atom Count: 32
• Complexity: 802

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)CCCl)COP(=O)(C(=O)OCC3=CC=CC=C3)O)O
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCCl)COP(=O)(C(=O)OCC3=CC=CC=C3)O)O

Technology Process of (Benzyloxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester

There total 1 articles about (Benzyloxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester 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: 26.0%

5-(2-chloroethyl)-1-(2-deoxy-β-D-erythro-pentofuranosyl)-1H,3H-pyrimidine-2,4-dione (90301-59-0) + C8H9O5P*C5H5N → <(benzyloxy)carbonyl>phosphonic acid 5-(2-chloroethyl)-2'-deoxyuridin-5'-yl ester (115365-30-5)

Guidance literature:

With dicyclohexyl-carbodiimide; In pyridine; at 50 ℃; for 3h;

DOI:10.1021/jm00117a026

upstream raw materials:

5-(2-chloroethyl)-1-(2-deoxy-β-D-erythro-pentofuranosyl)-1H,3H-pyrimidine-2,4-dione

Refernces