1-(1,3-Dioxolan-2-ylmethyl)-2-methylbenzene

Base Information

• Chemical Name: 1-(1,3-Dioxolan-2-ylmethyl)-2-methylbenzene
• CAS No.: 89012-55-5
• Molecular Formula: C11H14O2
• Molecular Weight: 178.22800
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID90527372
• Wikidata: Q82396578
• Mol file: 89012-55-5.mol

Synonyms:89012-55-5;1-(1,3-DIOXOLAN-2-YLMETHYL)-2-METHYLBENZENE;2-[(2-Methylphenyl)methyl]-1,3-dioxolane;MFCD04117677;DTXSID90527372;AKOS006295428;A923168

Chemical Property of 1-(1,3-Dioxolan-2-ylmethyl)-2-methylbenzene

Chemical Property:

• Vapor Pressure: 0.0134mmHg at 25°C
• Boiling Point: 267.5oC at 760 mmHg
• Flash Point: 120.1oC
• PSA: 18.46000
• Density: 1.077g/cm3
• LogP: 1.91040
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

96% ^*data from raw suppliers

1-(1,3-Dioxolan-2-ylmethyl)-2-methylbenzene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CC2OCCO2

Technology Process of 1-(1,3-Dioxolan-2-ylmethyl)-2-methylbenzene

There total 2 articles about 1-(1,3-Dioxolan-2-ylmethyl)-2-methylbenzene 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: 77.0%

1-methyl-2-vinyl-benzene (611-15-4) + ethylene glycol (107-21-1) → 2-<(o-methylphenyl)methyl>-1,3-dioxolane (89012-55-5)

Guidance literature:

With oxygen; copper(l) chloride; palladium dichloride; In 1,2-dimethoxyethane;

DOI:10.1039/c39830000848

Reference yield: 57.0%

ethyleneglycol vinyl ether (764-48-7) + 2-methylphenyl bromide (95-46-5) → 2-<(o-methylphenyl)methyl>-1,3-dioxolane (89012-55-5) + 2-(2-methylbenzyl)-1,3-dioxolane + 2-(2-o-tolyl-vinyloxy)-ethanol + 2-(1-o-tolyl-vinyloxy)-ethanol

Guidance literature:

With potassium carbonate; (1RS,2RS,3SR,4SR)-1,2,3,4-tetrakis((diphenylphosphanyl)methyl)cyclopentane; bis(η3-allyl-μ-chloropalladium(II)); In N,N-dimethyl-formamide; at 130 ℃; for 20h;

DOI:10.1055/s-2004-829063

Reference yield: 76.0%

2-<(o-methylphenyl)methyl>-1,3-dioxolane (89012-55-5) → o-Tolyl-acetic acid 2-hydroxy-ethyl ester

Guidance literature:

With tert.-butylhydroperoxide; Pd(OCOCF₃)(OOBu^t); In benzene; at 50 ℃; for 48h;

DOI:10.1039/c39830001245

upstream raw materials:

1-methyl-2-vinyl-benzene

ethylene glycol

ethyleneglycol vinyl ether

2-methylphenyl bromide

Refernces

• 1、 Kondolff, Isabelle,Doucet, Henri,Santelli, Maurice. "Direct synthesis of protected arylacetaldehydes by palladium- tetraphosphine-catalyzed arylation of ethyleneglycol vinylether". . p. 1561 - 1564. Retrieved 2007/10/03.
• 2、 Hosokawa, Takahiro,Ohta, Toshiyuki,Murahashi, Shun-Ichi. "Palladium(II)-catalysed Acetalization of Terminal Olefins Bearing Electron-withdrawing Substituents with 1,3- and 1,2-Diols". . p. 848 - 849. Retrieved 2007/10/02.