6-METHOXY-2-NAPHTHOIC ACID

The 2-Naphthalenecarboxylicacid, 6-methoxy-, with the CAS registry number 2471-70-7, is also known as NSC408786. It belongs to the product categories of Organic Acids; C11 to C12; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C₁₂H₁₀O₃ and molecular weight is 202.206. Its IUPAC name is called 6-methoxynaphthalene-2-carboxylic acid. This chemical is white or cream-colored solid.

Physical properties of 2-Naphthalenecarboxylicacid, 6-methoxy-: (1)ACD/LogP: 3.04; (2)ACD/LogD (pH 5.5): 1.82; (3)ACD/LogD (pH 7.4): 0.22; (4)ACD/BCF (pH 5.5): 7.21; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 64.25; (7)ACD/KOC (pH 7.4): 1.61; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.64; (12)Molar Refractivity: 57.7 cm³; (13)Molar Volume: 160 cm³; (14)Surface Tension: 52 dyne/cm; (15)Density: 1.263 g/cm³; (16)Flash Point: 147.8 °C; (17)Enthalpy of Vaporization: 65.21 kJ/mol; (18)Boiling Point: 371.1 °C at 760 mmHg; (19)Vapour Pressure: 3.65E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(6-methoxy-naphthalen-2-yl)-ethanone. This reaction will need reagent aq. NaClO, NaOH and solvent dioxane. The reaction time is 48 hours with reaction temperature of 90 °C. The yield is about 83%.

Uses of 2-Naphthalenecarboxylicacid, 6-methoxy-: it can be used to produce 6-methoxy-1,2,3,4-tetrahydro-[2]naphthoic acid. This reaction will need reagent isoamyl alcohol and sodium.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC2=C(C=C1)C=C(C=C2)C(=O)O
(2)InChI: InChI=1S/C12H10O3/c1-15-11-5-4-8-6-10(12(13)14)3-2-9(8)7-11/h2-7H,1H3,(H,13,14)
(3)InChIKey: YZBILXXOZFORFE-UHFFFAOYSA-N