o-Xylylene

Base Information

• Chemical Name: o-Xylylene
• CAS No.: 32796-95-5
• Molecular Formula: C8H8
• Molecular Weight: 104.152
• Hs Code.: 2902199090
• DSSTox Substance ID: DTXSID30954385
• Nikkaji Number: J247.761K,J795.268F
• Wikidata: Q27123422
• Metabolomics Workbench ID: 58246
• Mol file: 32796-95-5.mol

Synonyms:o-Xylylene;o-quinodimethane;5,6-dimethylidenecyclohexa-1,3-diene;32796-95-5;Methyl, 1,2-phenylenebis-;1,2-quinodimethane;32714-83-3;5,6-bis(methylene)-1,3-cyclohexadiene;o-Chinodimethan;CHEBI:52411;DTXSID30954385;(1,2-Phenylenebismethylene)radical;5,6-dimethylene-cyclohexa-1,3-diene;1,3-Cyclohexadiene, 5,6-bis(methylene)-;Q27123422

Chemical Property of o-Xylylene

Chemical Property:

• Vapor Pressure: 3.76mmHg at 25°C
• Boiling Point: 156.2°Cat760mmHg
• Flash Point: 25.6°C
• PSA: 0.00000
• Density: 0.87g/cm³
• LogP: 0.50720
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 104.062600255
• Heavy Atom Count: 8
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C1C=CC=CC1=C

Technology Process of o-Xylylene

There total 34 articles about o-Xylylene 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: 48.0%

1,2-bis[(phenylseleno)methyl]benzene (78808-36-3) → 1,2-dimethylenebenzene (32796-95-5)

Guidance literature:

In acetonitrile; Flash photolysis;

DOI:10.1021/ja027653v

Reference yield:

1-(diazomethyl)-2-methylbenzene (698-20-4) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 1,2-dimethylenebenzene (32796-95-5) + o-tolylmethylene biradical (35745-45-0) + 1-methylcyclohepta-1,2,4,6-tetraene (93000-99-8)

Guidance literature:

Product distribution; Mechanism; Irradiation; photolysis; variation of irradiation wavelength;

DOI:10.1021/ja00210a032

Reference yield:

indan-2-one propane-1,3-diol ketal → formaldehyd (50-00-0,30525-89-4,61233-19-0) + ethene (74-85-1) + carbon dioxide (124-38-9,18923-20-1) + carbon monoxide (201230-82-2) + benzocyclobutene (694-87-1) + 1,2-dimethylenebenzene (32796-95-5) + 2-indanone (615-13-4)

Guidance literature:

at 870 ℃; Pyrolysis; Inert atmosphere;

DOI:10.3762/bjoc.9.191

upstream raw materials:

α,α'-dibromo-o-xylene

benzocyclobutene

2-methoxymethyltoluene

1-(diazomethyl)-2-methylbenzene

Downstream raw materials:

2-Benzenesulfonyl-3-trifluoromethyl-1,2,3,4-tetrahydro-naphthalene

benzocyclobutene

spiro-(5,5)-2,3-benzo-6-methyleneundeca-7,9-diene

Refernces

Studies of reactions of o-xylylene-α,α′-dihalides with palladium complexes and the catalytic synthesis of 3-isochromanone

10.1016/j.jorganchem.2006.01.029

The study focuses on the homogeneous catalysis by palladium complexes with phosphorus(III) ligands for the carbonylation of o-xylylene dihalides in the presence of water to form 3-isochromanone, an important synthetic intermediate for pharmaceutical and agrochemical products. Key chemicals used in the study include o-xylylene dihalides, palladium complexes, and triphenylphosphine (PPh3) as the most effective catalyst. The purpose of these chemicals is to investigate the catalytic efficiency and to understand the byproducts and intermediates formed during the reaction. The study also explores the role of excess PPh3 in prolonging the catalyst's activity and its transformation to bis-phosphonium compounds, which have been investigated for their impact on the catalytic process. The research aims to shed light on the mechanism and side reactions of lactone formation, contributing to the optimization of the catalytic synthesis of 3-isochromanone.

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