2,4,6-Trimethyl-4-phenyl-1,3-dioxane

Base Information

• Chemical Name: 2,4,6-Trimethyl-4-phenyl-1,3-dioxane
• CAS No.: 5182-36-5
• Molecular Formula: C13H18O2
• Molecular Weight: 206.285
• European Community (EC) Number: 225-963-6
• DSSTox Substance ID: DTXSID7052157
• Nikkaji Number: J58.033C
• Metabolomics Workbench ID: 47155
• Mol file: 5182-36-5.mol

Synonyms:2,4,6-Trimethyl-4-phenyl-1,3-dioxane;5182-36-5;FLOROPAL;1,3-Dioxane, 2,4,6-trimethyl-4-phenyl-;Vertacetal;EINECS 225-963-6;SCHEMBL110856;DTXSID7052157;BBL030527;STL349631;AKOS015955288;m-Dioxane, 2,4,6-trimethyl-4-phenyl-;2 4 6-Trimethyl-4-phenyl-1 3-dioxane;VS-09871;1,3-dioxano, 2,4,6-trimetil-4-fenil-;2,4,6-trimethyl-4-phenyl-(1,3)-dioxane;Acetaldehyde 2-phenylpentanediol-2,4 acetal;FT-0626435;m-Dioxane 2 4 6-trimethyl-4-phenyl-(7CI 8CI);W-110016;2,4,6 - trimethyl - 4 - phenyl - 1,3 - dioxane

Chemical Property of 2,4,6-Trimethyl-4-phenyl-1,3-dioxane

Chemical Property:

• Vapor Pressure: 0.00709mmHg at 25°C
• Refractive Index: 1.481
• Boiling Point: 278.7 °C at 760 mmHg
• Flash Point: 128.3 °C
• PSA: 67.63000
• Density: 0.977 g/cm³
• LogP: 2.56078
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 211

Purity/Quality:

99.9% ^*data from raw suppliers

FLOROPAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC(OC(O1)C)(C)C2=CC=CC=C2

Technology Process of 2,4,6-Trimethyl-4-phenyl-1,3-dioxane

There total 9 articles about 2,4,6-Trimethyl-4-phenyl-1,3-dioxane 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: 90.0%

acetaldehyde (75-07-0,9002-91-9) + isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → 4-phenyl-2,4,6-trimethyl-1,3-dioxane (5182-36-5)

Guidance literature:

With iodine; In dichloromethane; at 23 ℃; for 0.666667h;

DOI:10.1016/j.tetlet.2008.05.014

Reference yield:

paracetaldehyde (123-63-7) + isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → 4-phenyl-2,4,6-trimethyl-1,3-dioxane (5182-36-5)

Guidance literature:

With GALDEN(R) SV 135; Hf[N(SO₂C₈F₁₇)2]4; In 1,2-dichloro-ethane; at 10 ℃; for 48h;

DOI:10.1246/cl.2006.1102

Reference yield:

acetaldehyde (75-07-0,9002-91-9) + isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → (2RS,4SR,6RS)-2,4,6-trimethyl-4-phenyl-1,3-dioxane (5182-36-5,78779-38-1,78779-39-2)

Guidance literature:

With GALDEN(R) SV 135; hafnium(IV) bis(perfluorooctanesulfonyl)amide complex; In 1,2-dichloro-ethane; at 10 ℃;

DOI:10.1016/j.jfluchem.2007.07.007

upstream raw materials:

acetaldehyde

isopropenylbenzene

paracetaldehyde

Downstream raw materials:

4-phenyl-pentan-2-ol

Refernces

• 1、 Yadav,Reddy, B.V. Subba,Hara Gopal,Narayana Kumar,Madavi,Kunwar. "Iodine as a mild and versatile reagent for the synthesis of 1,3-dioxane derivatives via the Prins reaction". . p. 4420 - 4423. Retrieved 2008/12/21.
• 2、 Hao, Xiuhua,Hoshi, Nobuto. "Facile and recyclable method for the Prins reaction using hafnium(IV) bis(perfluorooctanesulfonyl)amides in fluorous biphase system". . p. 1102 - 1103. Retrieved 2007/10/03.