P-METHYLPHENYLACETALDEHYDE

The Benzeneacetaldehyde,4-methyl- is an organic compound with the formula C₉H₁₀O. The IUPAC name of this chemical is 2-(4-methylphenyl)acetaldehyde. With the CAS registry number 104-09-6 and EINECS 203-173-2, it is also named as Methylphenylacetaldehyde, p-. The product's categories are Benzene Derivatives; Aromatic Aldehydes & Derivatives (substituted); Aldehydes; Phenyls & Phenyl-Het.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 17.07 Å²; (9)Index of Refraction: 1.512; (10)Molar Refractivity: 40.81 cm³; (11)Molar Volume: 135.8 cm³; (12)Polarizability: 16.17×10^-24 cm³; (13)Surface Tension: 34.9 dyne/cm; (14)Enthalpy of Vaporization: 45.65 kJ/mol; (15)Vapour Pressure: 0.115 mmHg at 25°C; (16)Rotatable Bond Count: 2; (17)Tautomer Count: 2; (18)Exact Mass: 134.073165; (19)MonoIsotopic Mass: 134.073165; (20)Topological Polar Surface Area: 17.1; (21)Heavy Atom Count: 10; (22)Complexity: 101.

Preparation of Benzeneacetaldehyde,4-methyl-: It can be obtained by 4-methyl-aniline and p-tolyl-vinyl ether. This reaction which has two steps needs reagents sodium nitrite, hydrochloric acid, copper(II) chloride dihydrate, sodium hydrogen carbonate, calcium carbonate and solvents H₂O, acetone at temperature of 25 - 30 °C. The reaction PH is 3-4. The yield is 44.

Uses OF Benzeneacetaldehyde,4-methyl-: It can react with 3-Methyl-glutaconsaeure-dimethylester to get 3-methyl-2-(2-p-tolyl-vinyl)-pent-2-enedioic acid 1-methyl ester. This reaction needs reagent MeONa and solvent diethyl ether at temperature of 20 °C. The reaction time is 2 hours. The yield is 60%.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=CCc1ccc(C)cc1
2. InChI:InChI=1/C9H10O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,7H,6H2,1H3
3. InChIKey:CIXAYNMKFFQEFU-UHFFFAOYAM