5,5-Dimethyl-2-(4-methylphenyl)-1,3-dioxane

Base Information

• Chemical Name: 5,5-Dimethyl-2-(4-methylphenyl)-1,3-dioxane
• CAS No.: 38252-14-1
• Molecular Formula: C13H18 O2
• Molecular Weight: 206.285
• NSC Number: 26403
• DSSTox Substance ID: DTXSID70282538
• Nikkaji Number: J1.496.764H
• Wikidata: Q82016834
• Mol file: 38252-14-1.mol

Synonyms:5,5-dimethyl-2-(4-methylphenyl)-1,3-dioxane;38252-14-1;NSC26403;SCHEMBL11460056;DTXSID70282538;NSC-26403

Chemical Property of 5,5-Dimethyl-2-(4-methylphenyl)-1,3-dioxane

Chemical Property:

• Vapor Pressure: 0.00349mmHg at 25°C
• Boiling Point: 291°Cat760mmHg
• Flash Point: 137.3°C
• PSA: 18.46000
• Density: 0.994g/cm³
• LogP: 3.06660
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 195

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2OCC(CO2)(C)C

Technology Process of 5,5-Dimethyl-2-(4-methylphenyl)-1,3-dioxane

There total 2 articles about 5,5-Dimethyl-2-(4-methylphenyl)-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: 96.0%

4-methyl-benzaldehyde (104-87-0) + 2,2-Dimethyl-1,3-propanediol (126-30-7) → 5,5-Dimethyl-2--dioxan-(1,3) (38252-14-1)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 24h; Heating;

DOI:10.1016/S0040-4039(01)00169-1

Reference yield:

→ 5,5-Dimethyl-2--dioxan-(1,3) (38252-14-1)

Guidance literature:

Kochen v. 2,2-Dimethyl-propandiol-(1,3) mit 4-Methyl-benzaldehyd in Ggw. v. p-Toluolsulfonsaeure in Hexan;

DOI:10.1021/jo01351a024

Reference yield: 86.0%

5,5-Dimethyl-2--dioxan-(1,3) (38252-14-1) → 4-methyl-benzaldehyde (104-87-0)

Guidance literature:

With iron(III) p-toluenesulfonate hexahydrate; In water; for 1h; Reflux;

DOI:10.1016/j.tetlet.2010.05.112

upstream raw materials:

4-methyl-benzaldehyde

2,2-Dimethyl-1,3-propanediol

Downstream raw materials:

3-(p-Methyl-benzyloxy)-2,2-dimethyl-propanal-⁽¹⁾

2-{4-[(E)-2-(4-Dodecyloxy-phenyl)-vinyl]-phenyl}-5,5-dimethyl-[1,3]dioxane

5,5-Dimethyl-2-{4-[(E)-2-(3,4,5-tris-dodecyloxy-phenyl)-vinyl]-phenyl}-[1,3]dioxane

(E)-4-[2-(3,4,5-tridodecyloxyphenyl)ethenyl]benzaldehyde