2,2-Dimethyl-5-(propan-2-ylidene)-1,3-dioxane-4,6-dione

Base Information

• Chemical Name: 2,2-Dimethyl-5-(propan-2-ylidene)-1,3-dioxane-4,6-dione
• CAS No.: 2231-66-5
• Molecular Formula: C9H12 O4
• Molecular Weight: 184.192
• Hs Code.: 2934999090
• European Community (EC) Number: 218-770-3
• DSSTox Substance ID: DTXSID60176856
• Nikkaji Number: J213.122F
• Wikidata: Q72485924
• Mol file: 2231-66-5.mol

Synonyms:2231-66-5;2,2-dimethyl-5-(propan-2-ylidene)-1,3-dioxane-4,6-dione;2,2-Dimethyl-5-(1-Methyl Ethylidene)-1,3-Dioxane-4,6-Dione;2,2-dimethyl-5-propan-2-ylidene-1,3-dioxane-4,6-dione;2,2-Dimethyl-5-(1-methylethylidene)-1,3-dioxane-4,6-dione;EINECS 218-770-3;5-isopropylidene-2,2-dimethyl-1,3-dioxane-4,6-dione;SCHEMBL70825;DTXSID60176856;BCP20284;CAA23166;LT0018;MFCD16038481;AKOS015915309;AM803541;AS-39701;CS-0037634;FT-0654651;J-506817;2,2-Dimethyl-5-isopropylidene-1,3-dioxane-4,6-dione;5-Isopropylidene-2,2-dimethyl-[1,3]dioxane-4,6-dione;5-Isopropylidene-2,2-dimethyl-1,3-dioxinane-4,6-dione

Chemical Property of 2,2-Dimethyl-5-(propan-2-ylidene)-1,3-dioxane-4,6-dione

Chemical Property:

• Vapor Pressure: 6.48E-06mmHg at 25°C
• Melting Point: 128℃ (ethanol )
• Boiling Point: 378°Cat760mmHg
• Flash Point: 199.5°C
• PSA: 52.60000
• Density: 1.138g/cm³
• LogP: 1.15890
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 184.07355886
• Heavy Atom Count: 13
• Complexity: 273

Purity/Quality:

99% ^*data from raw suppliers

2,2-Dimethyl-5-(propan-2-ylidene)-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: CC(=C1C(=O)OC(OC1=O)(C)C)C

Technology Process of 2,2-Dimethyl-5-(propan-2-ylidene)-1,3-dioxane-4,6-dione

There total 6 articles about 2,2-Dimethyl-5-(propan-2-ylidene)-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: 87.6%

cycl-isopropylidene malonate (2033-24-1) → O-tert-butylmalonic acid ammonium salt + 2,2-dimethyl-5-(propan-2-ylidene)-1,3-dioxane-4,6-dione (2231-66-5)

Guidance literature:

cycl-isopropylidene malonate; In tert-butyl alcohol; for 5h; Heating / reflux;

With ammonia; In ethanol; water; at 0 ℃;

Reference yield: 82.8%

cycl-isopropylidene malonate (2033-24-1) + acetone (67-64-1) → 2,2-dimethyl-5-(propan-2-ylidene)-1,3-dioxane-4,6-dione (2231-66-5)

Guidance literature:

With piperidine; acetic acid; at 20 - 25 ℃; for 18h; Inert atmosphere; Molecular sieve;

Reference yield:

cycl-isopropylidene malonate (2033-24-1) + tert-butyl alcohol (75-65-0) → 2,2-dimethyl-5-(propan-2-ylidene)-1,3-dioxane-4,6-dione (2231-66-5) + mono-tert-butyl malonate (40052-13-9)

Guidance literature:

for 5h; Heating;

DOI:10.1080/00397910500334405

upstream raw materials:

cycl-isopropylidene malonate

acetone

5-Hexen-2-one

tert-butyl alcohol

Downstream raw materials:

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

isopropylideneketene

isopropenylketene

acetone