2-(2-Methylphenyl)-2-oxoacetaldehyde

Base Information

• Chemical Name: 2-(2-Methylphenyl)-2-oxoacetaldehyde
• CAS No.: 63440-60-8
• Molecular Formula: C9H8O2
• Molecular Weight: 148.161
• Hs Code.: 2914400090
• NSC Number: 127968
• DSSTox Substance ID: DTXSID70979633
• Nikkaji Number: J2.667.277E
• Wikidata: Q82965336
• Mol file: 63440-60-8.mol

Synonyms:2-(2-methylphenyl)-2-oxoacetaldehyde;63440-60-8;2-oxo-2-o-tolylacetaldehyde hydrate;(2-methylphenyl)(oxo)acetaldehyde;NSC127968;SCHEMBL1697526;DTXSID70979633;AKOS017515530;NSC-127968;CS-0223502;EN300-115554;Z2472857037

Chemical Property of 2-(2-Methylphenyl)-2-oxoacetaldehyde

Chemical Property:

• Vapor Pressure: 0.0559mmHg at 25°C
• Refractive Index: 1.525
• Boiling Point: 233.4 °C at 760 mmHg
• Flash Point: 86.4 °C
• PSA: 34.14000
• Density: 1.101 g/cm³
• LogP: 1.37660
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 148.052429494
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

2-(2-methylphenyl)-2-oxoacetaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(=O)C=O

Technology Process of 2-(2-Methylphenyl)-2-oxoacetaldehyde

There total 2 articles about 2-(2-Methylphenyl)-2-oxoacetaldehyde 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: 40.0%

1-indene (95-13-6) → 2-(o-tolyl)-2-oxo-ethanale (63440-60-8) + 2-indanone (615-13-4)

Guidance literature:

With nitrobenzene; In acetonitrile; for 24h;

DOI:10.1016/0040-4020(96)00878-2

Reference yield: 20.0%

2-nitrothiophene (609-40-5) + 1-indene (95-13-6) → 2-nitro-indene (16021-01-5) + 2-(o-tolyl)-2-oxo-ethanale (63440-60-8) + 2-indanone (615-13-4) + 2-(2-thienyl)indene (150994-10-8)

Guidance literature:

In acetonitrile; for 1h;

DOI:10.1016/0040-4020(96)00878-2

Reference yield: 98.0%

2-phenyl-5-methylene-4,5-dihydrooxazole (146896-52-8) + 2-(o-tolyl)-2-oxo-ethanale (63440-60-8) → 2-hydroxy-3-(2-phenyloxazol-5-yl)-1-(o-tolyl)propan-1-one (1616777-80-0)

Guidance literature:

With C₃₉H₆₀N₄O₄*Ni⁽²⁺⁾*2BF₄^(1-)*6H₂O; In dichloromethane; at 30 ℃; for 24h; enantioselective reaction;

DOI:10.1039/c4cc02809k

upstream raw materials:

2-nitrothiophene

1-indene

Downstream raw materials:

6-Chloro-2-o-tolyl-imidazo[1,2-b]pyridazin-3-ol

5-o-tolyl-pyrazine-2,3-dicarbonitrile

5-(2-methylphenyl)-3-phenyl-1,2,4-triazine

3-methoxy-6-(3'-methoxybenzylthio)-2-(2''-methylphenyl)imidazo<1,2-b>pyridazine

Refernces