Propanoic acid, 2,2-dimethyl-, 4-(2-fluorobenzoyl)phenyl ester

Base Information

• Chemical Name: Propanoic acid, 2,2-dimethyl-, 4-(2-fluorobenzoyl)phenyl ester
• CAS No.: 878555-08-9
• Molecular Formula: C18H17FO3
• Molecular Weight: 300.33
• DSSTox Substance ID: DTXSID50478871
• Nikkaji Number: J2.290.163J
• Wikidata: Q82312562

Synonyms:Propanoic acid, 2,2-dimethyl-, 4-(2-fluorobenzoyl)phenyl ester;878555-08-9;DTXSID50478871

Chemical Property of Propanoic acid, 2,2-dimethyl-, 4-(2-fluorobenzoyl)phenyl ester

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 300.11617256
• Heavy Atom Count: 22
• Complexity: 405

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2F

Technology Process of Propanoic acid, 2,2-dimethyl-, 4-(2-fluorobenzoyl)phenyl ester

There total 1 articles about Propanoic acid, 2,2-dimethyl-, 4-(2-fluorobenzoyl)phenyl 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: 94.0%

2-Fluorobenzoyl chloride (393-52-2) + 2,2-dimethyl-4-iodophenyl propanoic acid ester → 2,2-dimethyl-4-(2-fluorobenzoyl)phenyl propanoic acid ester (878555-08-9)

Guidance literature:

2,2-dimethyl-4-iodophenyl propanoic acid ester; With isopropylmagnesium chloride; In tetrahydrofuran; at -20 ℃; for 0.5h;

In tetrahydrofuran; at -20 ℃;

2-Fluorobenzoyl chloride; In tetrahydrofuran; at -10 ℃;

DOI:10.1021/ol0529142

Reference yield: 72.0%

2,2-dimethyl-4-(2-fluorobenzoyl)phenyl propanoic acid ester (878555-08-9) + (3,4-methylenedioxy)phenylmagnesium bromide (17680-04-5) → 2,2-dimethyl-4-[2-(1,3-benzodioxol-5-yl)benzoyl]phenyl propanoic acid ester

Guidance literature:

(3,4-methylenedioxy)phenylmagnesium bromide; In tetrahydrofuran; at -20 ℃; for 0.166667h;

2,2-dimethyl-4-(2-fluorobenzoyl)phenyl propanoic acid ester; With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; para-fluorostyrene; tetra-(n-butyl)ammonium iodide; cobalt acetylacetonate; In tetrahydrofuran; 1,2-dimethoxyethane; at 25 ℃; for 16h;

DOI:10.1021/ol0529142

Reference yield: 72.0%

2,2-dimethyl-4-(2-fluorobenzoyl)phenyl propanoic acid ester (878555-08-9) → 2,2-dimethyl-4-[2-(1,3-benzodioxol-5-yl)benzoyl]phenyl propanoic acid ester

Guidance literature:

3,4-(OCH₂O)-C₆H₃-MgX, X = Br or Cl; In tetrahydrofuran; at -20 ℃; for 0.166667h;

2,2-dimethyl-4-(2-fluorobenzoyl)phenyl propanoic acid ester; With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; para-fluorostyrene; tetra-(n-butyl)ammonium iodide; cobalt acetylacetonate; In tetrahydrofuran; 1,2-dimethoxyethane; at 25 ℃; for 16h; Further stages.;

DOI:10.1055/s-2006-950290

upstream raw materials:

2-Fluorobenzoyl chloride

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