2-Methyl-2-phenethyl-1,3-dioxolane

Base Information

• Chemical Name: 2-Methyl-2-phenethyl-1,3-dioxolane
• CAS No.: 69246-00-0
• Molecular Formula: C12H16 O2
• Molecular Weight: 192.258
• European Community (EC) Number: 273-934-1
• UNII: X95NM98H3L
• DSSTox Substance ID: DTXSID20219314
• Nikkaji Number: J317.959A
• Wikidata: Q83096237
• Mol file: 69246-00-0.mol

Synonyms:2-Methyl-2-phenethyl-1,3-dioxolane;69246-00-0;EINECS 273-934-1;2-METHYL-2-(2-PHENYLETHYL)-1,3-DIOXOLANE;X95NM98H3L;SCHEMBL14130984;DTXSID20219314;NS00036820;1,3-Dioxolane, 2-methyl-2-(2-phenylethyl)-

Chemical Property of 2-Methyl-2-phenethyl-1,3-dioxolane

Chemical Property:

• Vapor Pressure: 0.013mmHg at 25°C
• Boiling Point: 267.391°C at 760 mmHg
• Flash Point: 119.996°C
• PSA: 18.46000
• Density: 1.025g/cm³
• LogP: 2.38220
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OCCO1)CCC2=CC=CC=C2

Technology Process of 2-Methyl-2-phenethyl-1,3-dioxolane

There total 4 articles about 2-Methyl-2-phenethyl-1,3-dioxolane 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%

4-Phenyl-2-butanone (2550-26-7) + ethylene glycol (107-21-1) → 4-phenyl-2-butanone ethylene acetal (69246-00-0)

Guidance literature:

With diphenylamine-terephthalaldehyde resin p-toluenesulfonate with high sulfo group content; In toluene; for 2h; Dean-Stark; Reflux;

DOI:10.1246/cl.150166

Reference yield: 92.0%

2-methyl-2-phenethyl-[1,3]oxathiolane (17642-78-3) + ethylene glycol (107-21-1) → 4-phenyl-2-butanone ethylene acetal (69246-00-0)

Guidance literature:

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

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

Reference yield: 71.0%

methyllithium (917-54-4) + 2-phenethyl-1,3-dioxolan-2-ylium tetrafluoroborate → 4-phenyl-2-butanone ethylene acetal (69246-00-0)

Guidance literature:

In diethyl ether; 1.) -78 deg c, 1 h, 2.9 0 deg C, 6 h;

DOI:10.1246/cl.1986.1627

upstream raw materials:

methyllithium

4-Phenyl-2-butanone

ethylene glycol

2-methyl-2-phenethyl-[1,3]oxathiolane

Downstream raw materials:

4-Phenyl-2-butanone

benzyl-(1-methyl-3-phenylpropyl) ether

3,8-dimethyl-1,10-diphenyl-4,7-divinyldecane-3,8-diol

3,6-bis(2-hydroxy-4-phenyl-2-butyl)cyclohexene

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