((2R,3R,4R)-3-((4-Chlorobenzoyl)oxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl 4-chlorobenzoate

Base Information

• Chemical Name: ((2R,3R,4R)-3-((4-Chlorobenzoyl)oxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl 4-chlorobenzoate
• CAS No.: 1294481-79-0
• Molecular Formula: C20H15Cl2FO6
• Molecular Weight: 441.24
• DSSTox Substance ID: DTXSID30693388
• Wikidata: Q72462171
• Mol file: 1294481-79-0.mol

Synonyms:1294481-79-0;((2R,3R,4R)-3-((4-Chlorobenzoyl)oxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl 4-chlorobenzoate;[(2R,3R,4R)-3-(4-chlorobenzoyl)oxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl 4-chlorobenzoate;(2R)-2-Deoxy-2-fluoro-2-Methyl-D-erythro-pentonic acid-g-lactone 3,5-bis(4-chlorobenzoate);(2R)-2-Deoxy-2-fluoro-2-methyl-D-erythropentonic acid gamama-lactone 3,5-bis(4-chlorobenzoate);SCHEMBL2482040;DTXSID30693388;AMY24084;MFCD23106241;AKOS016005255;GS-6211;[(2R,3R,4R)-3-(4-chlorobenzoyloxy)-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl 4-chlorobenzoate;AC-29153;CS-0054136;A847964;3,5-Di-O-p-chlorobenzoyl-2-deoxy-2-fluoro-2-C-methyl-D-ribofuranose;((2R,3R,4R)-3-((4-Chlorobenzoyl)oxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl 4-chlorobenzoate((2R,3R,4R)-3-((4-Chlorobenzoyl)oxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl 4-chlorobenzoate;((2R,3R,4R)-3-((4-Chlorobenzoyl)oxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl4-chlorobenzoate;((2R,3R,4R)-3-(4-chlorobenzoyloxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl 4-chlorobenzoate;(2R)-2-Deoxy-2-fluoro-2-methyl-d-erythro-pentonic acid-gamma-lactone 3,5-bis(4-chlorobenzoate);(1R,2R,5S)-5-(3-(4-chlorophenyl)-3-oxopropyl)-2-fluoro-2-methyl-3-oxocyclopentyl 4-chlorobenzoate;(2R,3R,4R)-2-[(4-chlorobenzoyloxy)methyl]-4-fluoro-4-methyl-5-oxooxolan-3-yl 4-chlorobenzoate;{(2R,3R,4R)-3-[(4-Chlorobenzoyl)oxy]-4-fluoro-4-methyl-5-oxooxolan-2-yl}methyl 4-chlorobenzoate (non-preferred name);D-erythro-Pentonic acid, 2-deoxy-2-fluoro-2-methyl-, gamma-lactone, 3,5-bis(4-chlorobenzoate), (2R)-

Chemical Property of ((2R,3R,4R)-3-((4-Chlorobenzoyl)oxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl 4-chlorobenzoate

Chemical Property:

• Boiling Point: 522.7±50.0 °C(Predicted)
• PSA: 78.90000
• Density: 1.47
• LogP: 4.02940
• Storage Temp.: 2-8°C
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 440.0229717
• Heavy Atom Count: 29
• Complexity: 631

Purity/Quality:

97% ^*data from raw suppliers

d-erythro-pentonicacid,2-deoxy-2-fluoro-2-methyl-,-lactone,3,5-bis(4-chlorobenzoate),(2r)- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(C(OC1=O)COC(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)Cl)F
• Isomeric SMILES: C[C@]1([C@@H]([C@H](OC1=O)COC(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)Cl)F

Technology Process of ((2R,3R,4R)-3-((4-Chlorobenzoyl)oxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl 4-chlorobenzoate

There total 1 articles about ((2R,3R,4R)-3-((4-Chlorobenzoyl)oxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl 4-chlorobenzoate 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:

(3R,4R,5R)-3?fluoro?4?hydroxy?5?(hydroxymethyl)?3?methyltetrahydrofuran?2?one (879551-04-9) + 4-chloro-benzoyl chloride (122-01-0) → ((2R,3R,4R) 3-(4-chlorobenzoyloxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl-4-chlorobenzoate (1294481-79-0)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃;

Reference yield: 61.0%

((2R,3R,4R) 3-(4-chlorobenzoyloxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl-4-chlorobenzoate (1294481-79-0) → ((2R,3R,4R,5R)-3-((4-chlorobenzoyl)oxy)-4-fluoro-5-hydroxy-4-methyltetrahydrofuran-2-yl)methyl 4-chlorobenzoate (1294481-80-3)

Guidance literature:

((2R,3R,4R) 3-(4-chlorobenzoyloxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl-4-chlorobenzoate; With lithium tri-t-butoxyaluminum hydride; In tetrahydrofuran; at -30 - -10 ℃; for 2.25h; Inert atmosphere;

With ammonium chloride; In tetrahydrofuran; water; ethyl acetate; optical yield given as %de;

DOI:10.1021/jo200060f

Reference yield:

((2R,3R,4R) 3-(4-chlorobenzoyloxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl-4-chlorobenzoate (1294481-79-0) → (2R,3R,4R,5R)-5-bromo-2-(((4-chlorobenzoyl)oxy)methyl)-4-fluoro-4-methyltetrahydrofuran-3-yl 4-chlorobenzoate (1294481-81-4)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium tri-t-butoxyaluminum hydride / tetrahydrofuran / 2.25 h / -30 - -10 °C / Inert atmosphere

2: carbon tetrabromide; triphenylphosphine / dichloromethane / -25 - -17 °C / Inert atmosphere

With carbon tetrabromide; lithium tri-t-butoxyaluminum hydride; triphenylphosphine; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jo200060f

upstream raw materials:

(3R,4R,5R)-3?fluoro?4?hydroxy?5?(hydroxymethyl)?3?methyltetrahydrofuran?2?one

4-chloro-benzoyl chloride

Downstream raw materials:

(2R,3R,4R,5R)-5-(2-amino-6-ethoxy-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyltetrahydrofuran-3-ol

PSI-938

((2R,3R,4R,5R)-3-((4-chlorobenzoyl)oxy)-4-fluoro-5-hydroxy-4-methyltetrahydrofuran-2-yl)methyl 4-chlorobenzoate

(2R,3R,4R,5R)-5-bromo-2-(((4-chlorobenzoyl)oxy)methyl)-4-fluoro-4-methyltetrahydrofuran-3-yl 4-chlorobenzoate

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