2-Phenyl-1,3-dioxane

Base Information

• Chemical Name: 2-Phenyl-1,3-dioxane
• CAS No.: 772-01-0
• Deprecated CAS: 143976-76-5
• Molecular Formula: C10H12 O2
• Molecular Weight: 164.204
• European Community (EC) Number: 212-245-2
• NSC Number: 71559
• UNII: A70K3QI3S7
• DSSTox Substance ID: DTXSID9061122
• Nikkaji Number: J111.033K
• Wikidata: Q81989325
• Mol file: 772-01-0.mol

Synonyms:2-Phenyl-1,3-dioxane;1,3-Dioxane, 2-phenyl-;2-Phenyl-1,3-dioxan;m-Dioxane, 2-phenyl-;2-Phenyl-m-dioxane;772-01-0;2-Phenyl-[1,3]dioxane;A70K3QI3S7;EINECS 212-245-2;NSC 71559;NSC-71559;AI3-11755;NSC71559;2-phenyl [1,3]dioxane;NCIOpen2_000500;UNII-A70K3QI3S7;SCHEMBL733501;DTXSID9061122;AKOS006274231

Chemical Property of 2-Phenyl-1,3-dioxane

Chemical Property:

• Vapor Pressure: 0.0298mmHg at 25°C
• Melting Point: 41°C
• Refractive Index: 1.5155 (estimate)
• Boiling Point: 253°C at 760 mmHg
• Flash Point: 113.2°C
• PSA: 18.46000
• Density: 1.075g/cm³
• 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: 124

Purity/Quality:

99% ^*data from raw suppliers

2-PHENYL-1,3-DIOXANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(OC1)C2=CC=CC=C2

Technology Process of 2-Phenyl-1,3-dioxane

There total 36 articles about 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: 98.0%

benzaldehyde (100-52-7) + trimethyleneglycol (504-63-2) → 2-phenyl-1,3-dioxane (772-01-0)

Guidance literature:

With orthoformic acid triethyl ester; zirconium(IV) chloride; In dichloromethane; for 0.416667h; Ambient temperature;

DOI:10.1055/s-1999-2605

Reference yield: 97.0%

2-phenyl-1,3-oxathiolane (5721-88-0) + trimethyleneglycol (504-63-2) → 2-phenyl-1,3-dioxane (772-01-0)

Guidance literature:

With N-Bromosuccinimide; In dichloromethane; at 20 ℃; for 0.0833333h;

DOI:10.1016/S0040-4020(02)00389-7

Reference yield: 96.0%

1,3-bis(trimethylsiloxy)propane (17887-80-8) + benzaldehyde (100-52-7) → 2-phenyl-1,3-dioxane (772-01-0)

Guidance literature:

With N-Bromosuccinimide; In dichloromethane; at 20 ℃; for 6.5h;

DOI:10.1055/s-2004-837291

upstream raw materials:

2-Phenyl-4H-[1,3]dioxin

benzaldehyde

trimethyleneglycol

benzaldehyde dimethyl acetal

Downstream raw materials:

2-dichloromethyl-2-phenyl-[1,3]dioxane

2-chloromethyl-2-phenyl-[1,3]dioxane

2-[(3-Hydroxy-propoxy)-phenyl-methyl]-cyclohexanone

2-[(3-Hydroxy-propoxy)-phenyl-methyl]-cyclohexanone

Refernces

• 1、 Feng, Caiting,Li, Qinlong,Wu, Panfeng,Liu, Bin,Hu, Huaiming,Xue, Ganglin. "Phosphotungstic Acid Supported on Magnetic Mesoporous Tantalum Pentoxide Microspheres: Efficient Heterogeneous Catalysts for Acetalization of Benzaldehyde with Ethylene Glycol". . p. 1204 - 1217. Retrieved 2019/11/19.
• 2、 Reddy, Narra Rajashekar,Kumar, Rashmi,Baskaran, Sundarababu. "A Direct Method for the Efficient Synthesis of Benzylidene Acetal at Room Temperature". supporting information. p. 1548 - 1552. Retrieved 2019/01/09.