5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

Base Information

• Chemical Name: 5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
• CAS No.: 23160-08-9
• Molecular Formula: C₁₃H₁₁FO₄
• Molecular Weight: 250.226
• NSC Number: 636397
• DSSTox Substance ID: DTXSID101163878
• Nikkaji Number: J2.505.625F
• Wikidata: Q69758984
• Mol file: 23160-08-9.mol

Synonyms:5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione;NSC636397;23160-08-9;ChemDiv3_003125;DTXSID101163878;HMS1481O01;AKOS001658733;NSC-636397;2,2-Dimethyl-5-(2-fluorobenzylidene)-1,3-dioxane-4,6-dione;5-[(2-fluorophenyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione;1,3-Dioxane-4,6-dione, 5-[(2-fluorophenyl)methylene]-2,2-dimethyl-

Chemical Property of 5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 250.06413699
• Heavy Atom Count: 18
• Complexity: 378

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(OC(=O)C(=CC2=CC=CC=C2F)C(=O)O1)C

Technology Process of 5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

There total 1 articles about 5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione 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: 93.0%

cycl-isopropylidene malonate (2033-24-1) + 2-Fluorobenzaldehyde (446-52-6) → 5-(2-fluoro-benzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (23160-08-9)

Guidance literature:

In benzene; at 50 ℃; Inert atmosphere;

DOI:10.1021/ol9003959

Reference yield: 74.0%

5-(2-fluoro-benzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (23160-08-9) + allytriphenyltin (76-63-1) → 5-(1-(2-fluorophenyl)but-3-enyl)-2,2-dimethyl-1,3-dioxane-4,6-dione (1147856-08-3)

Guidance literature:

5-(2-fluoro-benzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione; allytriphenyltin; With scandium tris(trifluoromethanesulfonate); In dichloromethane; at 20 ℃; for 21h; Inert atmosphere;

With hydrogenchloride; In dichloromethane; water; Inert atmosphere;

DOI:10.1021/ol9003959

Reference yield: 69.0%

5-(2-fluoro-benzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (23160-08-9) + cyanoselenoacetamide (96517-60-1) → 1,2-bis[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]diselane (1415414-27-5)

Guidance literature:

With 4-methyl-morpholine; In ethanol; for 1h; Inert atmosphere; Reflux;

DOI:10.1007/s10593-012-1092-1

upstream raw materials:

cycl-isopropylidene malonate

2-Fluorobenzaldehyde

Downstream raw materials:

5-(1-(2-fluorophenyl)but-3-enyl)-2,2-dimethyl-1,3-dioxane-4,6-dione

1,2-bis[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]diselane

2-[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-ylselanyl]-N-phenylacetamide

2-(ethylselanyl)-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile