4-DIMETHYLAMINO-O-TOLUALDEHYDE

The Benzaldehyde,4-(dimethylamino)-2-methyl-, with the CAS registry number 1199-59-3, is also known as o-Tolualdehyde,4-(dimethylamino)- (7CI,8CI) and 4-Dimethylamino-o-tolualdehyde. Its EINECS registry number is 214-846-5. This chemical's molecular formula is C₁₀H₁₃NO and molecular weight is 163.22. What's more, its IUPAC name is 4-(Dimethylamino)-2-methylbenzaldehyde.

Physical properties about Benzaldehyde,4-(dimethylamino)-2-methyl- are: (1) ACD/LogP: 2.27; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.27; (4) ACD/LogD (pH 7.4): 2.27; (5) ACD/BCF (pH 5.5): 31.27; (6) ACD/BCF (pH 7.4): 31.28; (7) ACD/KOC (pH 5.5): 409.08; (8) ACD/KOC (pH 7.4): 409.19; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 20.31 Å²; (13) Index of Refraction: 1.586; (14) Molar Refractivity: 52.14 cm³; (15)Molar Volume: 155.3 cm³; (16) Polarizability: 20.67×10^-24 cm³; (17) Surface Tension: 40.5 dyne/cm; (18) Density: 1.05 g/cm³; (19) Flash Point: 113.1 °C; (20) Enthalpy of Vaporization: 53.22 kJ/mol; (21) Boiling Point: 292.7 °C at 760 mmHg; (22) Vapour Pressure: 0.0018 mmHg at 25 °C. 

Preparation of Benzaldehyde,4-(dimethylamino)-2-methyl-: this chemical can be prepared by N,N-Dimethyl-formamide and 3,N,N-Trimethyl-aniline. This reaction needs reagent POCl₃. The yield is 68 %. And the reaction equation is as followed:

Uses of Benzaldehyde,4-(dimethylamino)-2-methyl-: it is used to produce other chemicals. For example, it is used to produce 2,6-Dichloro-N'-(4-dimethylamino-2-methyl-benzylidene)-benzene-1,4-diamine. The reaction occurs with solvent ethanol by heating for 1.5 hours. The yield is 62 %. And the reaction equation is as followed:

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1c(cc(N(C)C)cc1)C
(2) InChI: InChI=1/C10H13NO/c1-8-6-10(11(2)3)5-4-9(8)7-12/h4-7H,1-3H3
(3) InChIKey: XZWMCPUAUNHGPF-UHFFFAOYAQ