63440-60-8

Basic information

• Product Name: 2-oxo-2-o-tolylacetaldehyde hydrate
• Synonyms: 2-oxo-2-o-tolylacetaldehyde hydrate
• CAS NO: 63440-60-8
• Molecular Formula: C₉H₈O₂
• Molecular Weight: 148.1586
• Mol File: 63440-60-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 233.4 °C at 760 mmHg
• Flash Point: 86.4 °C
• Appearance: /
• Density: 1.101 g/cm³
• Vapor Pressure: 0.0559mmHg at 25°C
• Refractive Index: 1.525
• CAS DataBase Reference: 2-oxo-2-o-tolylacetaldehyde hydrate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-oxo-2-o-tolylacetaldehyde hydrate(63440-60-8)
• EPA Substance Registry System: 2-oxo-2-o-tolylacetaldehyde hydrate(63440-60-8)

Safety Data

• Hazardous Substances Data: 63440-60-8(Hazardous Substances Data)

Usage

General Description

2-oxo-2-o-tolylacetaldehyde hydrate, also known as o-tolyl glyoxal monohydrate, is a chemical compound with the molecular formula C9H10O3. It is a hydrate form of 2-oxo-2-o-tolylacetaldehyde, which is a versatile chemical intermediate used in various organic synthesis processes. The compound is commonly used in the production of pharmaceuticals, agrochemicals, and organic dyes. It is a white to off-white crystalline powder that is sparingly soluble in water and soluble in ethanol and acetone. It is important in the field of organic chemistry and is utilized as a building block in the synthesis of complex organic molecules.

InChI:InChI=1/C9H8O2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-6H,1H3

Upstream product

• 95-13-6 1-indene 
• 609-40-5 2-nitrothiophene 

Downstream Products

• 122479-26-9 6-Chloro-2-o-tolyl-imidazo[1,2-b]pyridazin-3-ol 
• 1616777-80-0 2-hydroxy-3-(2-phenyloxazol-5-yl)-1-(o-tolyl)propan-1-one 
• 118-90-1 ortho-methylbenzoic acid 
• 34966-54-6 methyl 2-oxo-2-(o-tolyl)acetate 

Relevant articles and documents

Photochemical reactivity of aromatic and heteroaromatic nitroderivatives in the presence of arylalkenes

The irradiation of styrene in the presence of nitroarenes in acetonitrile gives the corresponding nitrones in high yields. However, when 4-methyl-5-ethenylthiazole is used as arylalkene the starting material is converted to a pyrrole analogous of thianthrene. On the contrary, when 1,1-diphenylethylene is used, the main product observed is benzophenone. Nitrones are obtained only as minor products. An unusual coupling product, where a substitution reaction has occurred on the carbon bearing the nitro group, is also obtained. trans-Stilbene is unreactive under the same photochemical conditions, and it gives in low yields only benzaldehyde. Finally, indene gives, when aromatic nitro derivatives are used, only oxidation products, while, when heteroaromatic nitro derivatives are used, only substitution products on the nitro group are observed. The above described reactivity can be explained by using the results of AM1 semiempirical calculations on the frontier orbitals of the reagents. Both the nature of the LSOMO of the nitroarenes and the dipole moments of the reagents can account for the observed reactivity. The nitrone obtained in the photochemical reaction between styrene and nitrobenzene is used as starting material in a 1,3-dipolar cycloaddition reaction with styrene.