2-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic Acid, (2-Benzyloxy-phenyl)-amide

Base Information

• Chemical Name: 2-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic Acid, (2-Benzyloxy-phenyl)-amide
• CAS No.: 887355-33-1
• Molecular Formula: C33H30FNO4
• Molecular Weight: 523.604
• DSSTox Substance ID: DTXSID70442615
• Mol file: 887355-33-1.mol

Synonyms:887355-33-1;2-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic Acid, (2-Benzyloxy-phenyl)-amide;2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-(2-phenylmethoxyphenyl)pentanamide;SCHEMBL18051137;DTXSID70442615;AAWVPWXNZXRMJI-UHFFFAOYSA-N;AKOS030255731;2-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic Acid, (2-Benzyloxy-phenyl)-amid;FT-0668712;FT-0668713

Chemical Property of 2-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic Acid, (2-Benzyloxy-phenyl)-amide

Chemical Property:

• PSA: 75.96000
• LogP: 7.50070
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 523.21588660
• Heavy Atom Count: 39
• Complexity: 796

Purity/Quality:

99% ^*data from raw suppliers

2-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoicAcid,(2-Benzyloxy-phenyl)-amide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)C(C(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3OCC4=CC=CC=C4

Technology Process of 2-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic Acid, (2-Benzyloxy-phenyl)-amide

There total 8 articles about 2-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic Acid, (2-Benzyloxy-phenyl)-amide 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:

2-bromo-1-(4-fluorophenyl)-2-phenylethan-1-one (88675-31-4) + N-(2-(benzyloxy)phenyl)-4-methyl-3-oxopentanamide (265989-31-9) → 4-methyl-3-oxo-N-(2-benzyloxyphenyl)-2-[1-phenyl-2-(4-fluorophenyl)-2-oxoethyl]pentanamide (887355-33-1)

Guidance literature:

With potassium carbonate; In tert-butyl methyl ether; isopropyl alcohol; at 5 - 45 ℃; for 13.58h;

Reference yield:

2-benzyloxynitrobenzene (4560-41-2) → 4-methyl-3-oxo-N-(2-benzyloxyphenyl)-2-[1-phenyl-2-(4-fluorophenyl)-2-oxoethyl]pentanamide (887355-33-1)

Guidance literature:

Multi-step reaction with 4 steps

1: 67 percent / sodium dithionite / methanol

2: 76 percent / toluene / Heating

3: β-alanine; glacial acetic acid / hexane / Heating

4: 3-ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide; triethylamine / ethanol / Heating

With sodium dithionite; 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide; acetic acid; triethylamine; 3-amino propanoic acid; In methanol; ethanol; hexane; toluene; 1: Reduction / 2: Acylation / 3: Condensation / 4: Addition;

DOI:10.1002/(SICI)1099-1344(20000315)43:3<261::AID-JLCR312>3.0.CO;2-T

Reference yield:

N-(2-(benzyloxy)phenyl)-4-methyl-3-oxopentanamide (265989-31-9) → 4-methyl-3-oxo-N-(2-benzyloxyphenyl)-2-[1-phenyl-2-(4-fluorophenyl)-2-oxoethyl]pentanamide (887355-33-1)

Guidance literature:

Multi-step reaction with 2 steps

1: β-alanine; glacial acetic acid / hexane / Heating

2: 3-ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide; triethylamine / ethanol / Heating

With 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide; acetic acid; triethylamine; 3-amino propanoic acid; In ethanol; hexane; 1: Condensation / 2: Addition;

DOI:10.1002/(SICI)1099-1344(20000315)43:3<261::AID-JLCR312>3.0.CO;2-T

upstream raw materials:

4-fluorobenzaldehyde

4-Methyl-3-oxo-2-[1-phenyl-meth-(Z)-ylidene]-pentanoic acid (2-benzyloxy-phenyl)-amide

2-benzyloxynitrobenzene

N-(2-(benzyloxy)phenyl)-4-methyl-3-oxopentanamide

Downstream raw materials:

(4R-cis)-1,1-dimethylethyl-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(4-benzyloxyphenyl)carbonyl]-1H-pyrrol-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate

((4R,6R)-6-{2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]dioxan-4-yl)-acetic acid tert-butyl ester

(3R,5R)-7-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid tert-butyl ester

o-Hydroxyatorvastatin

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