3,5-DIMETHOXYPHENYLACETIC ACID

The Benzeneacetic acid,3,5-dimethoxy-, with the CAS registry number 4670-10-4, is also known as (3,5-Dimethoxyphenyl)acetic acid. It belongs to the product categories of Aromatic Phenylacetic Acids and Derivatives; Organic acids; Building Blocks for Dendrimers; Functional Materials; C₁₀; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C₁₀H₁₂O₄ and formula weight is 196.2. What's more, its IUPAC name is 2-(3,5-dimethoxyphenyl)acetic acid.

Physical properties of Benzeneacetic acid,3,5-dimethoxy- are: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.22; (4)ACD/LogD (pH 7.4): -1.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 50.72 cm³; (15)Molar Volume: 164.8 cm³; (16)Surface Tension: 41.7 dyne/cm; (17)Density: 1.189 g/cm³; (18)Flash Point: 140.1 °C; (19)Enthalpy of Vaporization: 63.05 kJ/mol; (20)Boiling Point: 352.6 °C at 760 mmHg; (21)Vapour Pressure: 1.4E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by (3,5-dimethoxy-phenyl)-acetonitrile by heating. This reaction will need reagent 40% NaOH, H₂O₂ and solvent ethanol. The yield is about 90%.

Uses of Benzeneacetic acid,3,5-dimethoxy-: it can be used to produce 3,5-dimethoxy-phenethyl alcohol. It will need reagent LiAlH₄ and solvent tetrahydrofuran. The reaction time is 2 hours. The reaction temperature is 0-20°C. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Besides you should wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=CC(=C1)CC(=O)O)OC
(2)InChI: InChI=1S/C10H12O4/c1-13-8-3-7(5-10(11)12)4-9(6-8)14-2/h3-4,6H,5H2,1-2H3,(H,11,12)
(3)InChIKey: FFPAFDDLAGTGPQ-UHFFFAOYSA-N