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

Base Information

• Chemical Name: 4,4,6-Trimethyl-2-phenyl-1,3-dioxane
• CAS No.: 2568-06-1
• Molecular Formula: C13H18 O2
• Molecular Weight: 206.285
• European Community (EC) Number: 219-905-9
• NSC Number: 25466
• DSSTox Substance ID: DTXSID10948560
• Nikkaji Number: J38.318J
• Mol file: 2568-06-1.mol

Synonyms:4,4,6-Trimethyl-2-phenyl-1,3-dioxane;2568-06-1;NSC25466;4,4,6-Trimethyl-2-phenyl-[1,3]dioxane;SCHEMBL23302265;DTXSID10948560;HMS1617G17;EINECS 219-905-9;CCG-24826;NSC 25466;NSC-25466;STK000359;AKOS001683855;4,4,6-Trimethyl-2-phenyl-1,3-dioxanato;AI3-05722;1,3-Dioxane, 4,4,6-trimethyl-2-phenyl-

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

Chemical Property:

• Vapor Pressure: 0.00667mmHg at 25°C
• Boiling Point: 279.8°C at 760 mmHg
• Flash Point: 129.1°C
• PSA: 18.46000
• Density: 0.977g/cm³
• LogP: 3.28920
• 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: 207

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 5 articles about 4,4,6-Trimethyl-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: 91.0%

2-methyl-2,4-pentanediol (107-41-5) + benzaldehyde (100-52-7) → (2S,6S)-4,4,6-Trimethyl-2-phenyl-[1,3]dioxane (2568-06-1,53841-03-5)

Guidance literature:

With trichloroacetonitrile; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1002/ejoc.201801731

Reference yield: 85.0%

2-methyl-2,4-pentanediol (107-41-5) + benzaldehyde (100-52-7) → 4,4,6-trimethyl-2-phenyl-1,3-dioxane (2568-06-1)

Guidance literature:

With chloro-trimethyl-silane; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1021/op0601262

Reference yield:

→ 4,4,6-trimethyl-2-phenyl-1,3-dioxane (2568-06-1)

Guidance literature:

2-Methyl-pentan-2,4-diol, Benzaldehyd, Benzolsulfonsaeure in sd. Bzl.;

upstream raw materials:

2-methyl-2,4-pentanediol

benzaldehyde

Downstream raw materials:

4-(benzyloxy)-4-methyl-2-pentanol

(2R,6R)-4,4,6-Trimethyl-2-o-tolyl-[1,3]dioxane

4-methyl-2-pentyl benzoate

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