4-Isopropyl-5,5-dimethyl-2-phenyl-1,3-dioxane

Base Information

• Chemical Name: 4-Isopropyl-5,5-dimethyl-2-phenyl-1,3-dioxane
• CAS No.: 24571-18-4
• Molecular Formula: C15H22 O2
• Molecular Weight: 234.338
• Hs Code.: 2934999090
• European Community (EC) Number: 246-323-2
• NSC Number: 46264,25475
• DSSTox Substance ID: DTXSID40947445
• Nikkaji Number: J286.346D
• Mol file: 24571-18-4.mol

Synonyms:4-Isopropyl-5,5-dimethyl-2-phenyl-1,3-dioxane;24571-18-4;EINECS 246-323-2;AI3-31155;1,3-Dioxane, 5,5-dimethyl-4-(1-methylethyl)-2-phenyl-;NSC25475;SCHEMBL11132456;DTXSID40947445;NSC46264;NSC 25475;NSC 46264;NSC-25475;NSC-46264;2-Phenyl-4-isopropyl-5,5-dimethyl-1,3-dioxane;5,5-Dimethyl-2-phenyl-4-(propan-2-yl)-1,3-dioxane

Chemical Property of 4-Isopropyl-5,5-dimethyl-2-phenyl-1,3-dioxane

Chemical Property:

• Vapor Pressure: 0.00123mmHg at 25°C
• Boiling Point: 308.5°C at 760 mmHg
• Flash Point: 150.1°C
• PSA: 18.46000
• Density: 0.963g/cm³
• LogP: 3.78280
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 234.161979940
• Heavy Atom Count: 17
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1C(COC(O1)C2=CC=CC=C2)(C)C

Technology Process of 4-Isopropyl-5,5-dimethyl-2-phenyl-1,3-dioxane

There total 4 articles about 4-Isopropyl-5,5-dimethyl-2-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: 94.0%

2,2,4-trimethylpentan-1,3-diol (144-19-4) + (1S,2R)-1,2-diphenylethane-1,2-diol (579-43-1) → 4-isopropyl-5,5-dimethyl-2-phenyl-1,3-dioxane (24571-18-4)

Guidance literature:

With PTAB; N-benzyl-N,N,N-triethylammonium chloride; antimony(III) bromide; In dimethyl sulfoxide; at 20 ℃; for 61h;

DOI:10.1016/j.tetlet.2006.04.005

Reference yield: 91.0%

2,2,4-trimethylpentan-1,3-diol (144-19-4) + trans-Stilbene oxide (1439-07-2) → 4-isopropyl-5,5-dimethyl-2-phenyl-1,3-dioxane (24571-18-4)

Guidance literature:

With PTAB; N-benzyl-N,N,N-triethylammonium chloride; antimony(III) bromide; In dimethyl sulfoxide; at 20 ℃; for 46h;

DOI:10.1016/j.tetlet.2006.04.005

Reference yield: 84.0%

2,2,4-trimethylpentan-1,3-diol (144-19-4) + 1,1,2-triphenyl-1,2-ethanediol (6296-95-3) → benzophenone (119-61-9) + 4-isopropyl-5,5-dimethyl-2-phenyl-1,3-dioxane (24571-18-4)

Guidance literature:

With PTAB; N-benzyl-N,N,N-triethylammonium chloride; antimony(III) bromide; In dimethyl sulfoxide; at 20 ℃; for 42h;

DOI:10.1016/j.tetlet.2006.04.005

upstream raw materials:

2,2,4-trimethylpentan-1,3-diol

1,1,2-triphenyl-1,2-ethanediol

(1S,2R)-1,2-diphenylethane-1,2-diol

trans-Stilbene oxide