4-Phenyl-1,3-dioxane

Base Information

• Chemical Name: 4-Phenyl-1,3-dioxane
• CAS No.: 772-00-9
• Deprecated CAS: 99494-18-5
• Molecular Formula: C10H12 O2
• Molecular Weight: 164.204
• Hs Code.: 29329900
• European Community (EC) Number: 212-244-7
• NSC Number: 406730
• DSSTox Substance ID: DTXSID70870772
• Nikkaji Number: J25.403G
• Mol file: 772-00-9.mol

Synonyms:4-phenyl-1,3-dioxane

Chemical Property of 4-Phenyl-1,3-dioxane

Chemical Property:

• Appearance/Colour: CLEAR SLIGHTLY YELLOW LIQUID
• Vapor Pressure: 0.046mmHg at 25°C
• Refractive Index: n20/D 1.53(lit.)
• Boiling Point: 250-251 °C(lit.)
• Flash Point: >230 °F
• PSA: 18.46000
• Density: 1.111 g/mL at 25 °C(lit.)
• LogP: 2.12210
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

98% ^*data from raw suppliers

4-Phenyl-1,3-dioxane >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Other Aromatic Compounds
• Canonical SMILES: C1COCOC1C2=CC=CC=C2

Technology Process of 4-Phenyl-1,3-dioxane

There total 15 articles about 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: 98.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → 4-phenyl-1,3-dioxane (772-00-9,99494-18-5)

Guidance literature:

resine C₃₅O; hydrogen cation; In benzene; at 60 ℃; for 12h;

DOI:10.1016/0040-4039(81)80133-5

Reference yield: 95.0%

4-phenyl-4H-1,3-dioxin (145372-92-5,145415-64-1) → 4-phenyl-1,3-dioxane (772-00-9,99494-18-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1016/S0040-4039(00)61791-4

Reference yield: 90.0%

1,3,5-Trioxan (110-88-3) + styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → 4-phenyl-1,3-dioxane (772-00-9,99494-18-5)

Guidance literature:

With Ce³⁺-montmorillonite; In toluene; at 80 ℃; for 6h;

DOI:10.1246/bcsj.69.2361

upstream raw materials:

1,3,5-Trioxan

styrene

formaldehyd

1-Phenylethanol

Downstream raw materials:

cinnamyl butanoate

ethyl (E)-cinnamyl propionate

3-Phenyl-1-propanol

3-Phenyl-1-heptanol

Refernces

• 1、 Sharf, V. Z.,Litvin, E. F.,Kasymova, K. A.,Afanas'ev, V. A.. "INTERPHASE INTERACTION OF STYRENE WITH FORMALDEHYDE CATALYSED BY ORGANIC SULFONIC ACIDS". . p. 1337 - 1341. Retrieved 1985.
• 2、 Diáz-Oviedo, C. David,Maji, Rajat,List, Benjamin. "The Catalytic Asymmetric Intermolecular Prins Reaction". supporting information. p. 20598 - 20604. Retrieved 2021/12/14.
• 3、 Baiburtli,Raskil’dina,Zlotskii. "Synthesis of ethers and cyclic acetals in the presence of CBV-720 zeolite". . p. 1098 - 1101. Retrieved 2017/11/22.