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

Base Information

• Chemical Name: 5-(2-Methoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
• CAS No.: 15795-56-9
• Molecular Formula: C14H14O5
• Molecular Weight: 262.262
• Hs Code.: 2934999090
• European Community (EC) Number: 661-145-9
• NSC Number: 636627
• DSSTox Substance ID: DTXSID50327173
• Nikkaji Number: J2.505.616G
• Mol file: 15795-56-9.mol

Synonyms:5-(2-Methoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione;15795-56-9;NSC636627;5-[(2-methoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione;5-[(2-methoxyphenyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione;5-((2-METHOXYPHENYL)METHYLENE)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE;DTXSID50327173;MFCD00128556;AKOS003598359;MS-7953;NSC-636627;CS-0324275;F15124;A855815;2-(2-Methoxybenzylidene)malonic acid isopropylidene ester;5-(2-methoxybenzylidene)-2,2-dimethyl-1,3-di-oxane-4,6-dione

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

Chemical Property:

• Melting Point: 98-100 °C(Solv: ethyl acetate (141-78-6))
• Boiling Point: 502.0±50.0 °C(Predicted)
• PSA: 61.83000
• Density: 1.238±0.06 g/cm3(Predicted)
• LogP: 1.91470
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 262.08412354
• Heavy Atom Count: 19
• Complexity: 388

Purity/Quality:

97% ^*data from raw suppliers

5-(2-Methoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OC(=O)C(=CC2=CC=CC=C2OC)C(=O)O1)C

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

There total 3 articles about 5-(2-Methoxybenzylidene)-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: 96.0%

cycl-isopropylidene malonate (2033-24-1) + ortho-anisaldehyde (135-02-4) → 5-(2-(methoxy)benzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (15795-56-9)

Guidance literature:

With piperidine; at 20 ℃; for 10h; Ionic liquid;

DOI:10.1080/00397910802663345

Reference yield: 60.0%

5-methylene-2,2-dimethyl-1,3-dioxane-4,6-dione (23340-26-3) + ortho-anisaldehyde (135-02-4) → 5-(2-(methoxy)benzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (15795-56-9)

Guidance literature:

With piperidine; acetic acid; In benzene; Heating;

DOI:10.1023/B:RUJO.0000044549.81561.4f

Reference yield:

→ 5-(2-(methoxy)benzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (15795-56-9)

Guidance literature:

Meldrumsaeure, 2-Methoxy-benzaldehyd , Benzol;

DOI:10.1007/BF00909251

upstream raw materials:

cycl-isopropylidene malonate

ortho-anisaldehyde

5-methylene-2,2-dimethyl-1,3-dioxane-4,6-dione

Downstream raw materials:

4-(2-Methoxy-phenyl)-1,7,7-trimethyl-4,6,7,8-tetrahydro-1H,3H-quinoline-2,5-dione

2-oxo-2H-chromene-3-carboxylic acid

2-Methoxybenzoic acid

5-Hydroxy-Meldrums Saeure