2,3,4-TRIMETHOXYBENZYL ALCOHOL

The 2,3,4-Trimethoxybenzyl alcohol, with the CAS registry number 71989-96-3, is also known as 1-Hydroxymethyl-2,3,4-trimethoxybenzene. It belongs to the product categories of Benzhydrols, Benzyl & Special Alcohols; Alcohols; C9 to C30; Oxygen Compounds. Its EINECS number is 276-270-0. This chemical's molecular formula is C₁₀H₁₄O₄ and molecular weight is 198.22. What's more, its systematic name is (2,3,4-Trimethoxyphenyl)methanol.

Physical properties of 2,3,4-Trimethoxybenzyl alcohol are: (1)ACD/LogP: 0.127; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.13; (4)ACD/LogD (pH 7.4): 0.13; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 27.92; (8)ACD/KOC (pH 7.4): 27.92; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 47.92 Å²; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 52.74 cm³; (15)Molar Volume: 175.257 cm³; (16)Polarizability: 20.908×10^-24cm³; (17)Surface Tension: 36.52 dyne/cm ; (18)Density: 1.131 g/cm³; (19)Flash Point: 134.494 °C; (20)Enthalpy of Vaporization: 58.254 kJ/mol; (21)Boiling Point: 310.862 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation of 2,3,4-Trimethoxybenzyl alcohol: this chemical can be prepared by 2,3,4-trimethoxy-benzaldehyde at the ambient temperature. This reaction will need reagents cobalt(II) chloride hexahydrate, zinc and solvents dimethylformamide, H₂O with the reaction time of 1.5 hours. The yield is about 98%.

Uses of 2,3,4-Trimethoxybenzyl alcohol: it can be used to produce 2,3,4-trimethoxybenzyl chloride. It will need reagents thionyl chloride, pyridine and solvent CH₂Cl₂ with the reaction time of 30 min. The yield is about 95%.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(c(OC)c1OC)CO)C
(2)Std. InChI: InChI=1S/C10H14O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3
(3)Std. InChIKey: DGJVVEVPKPOLEV-UHFFFAOYSA-N