2-(6-METHOXY-2-NAPHTHYL)PROPANOIC ACID

This chemical is called 2-(6-Methoxynaphthalen-2-yl)propanoic acid, and it's also named as 2-naphthaleneacetic acid, 6-methoxy-a-methyl-. With the molecular formula of C₁₄H₁₄O₃, its molecular weight is 230.26. The CAS registry number of this chemical is 26159-31-9. Additionally, its EINECS is 247-485-7.

Other characteristics of the 2-(6-Methoxynaphthalen-2-yl)propanoic acid  can be summarised as followings: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 20.29; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 184.73; (8)ACD/KOC (pH 7.4): 3.01; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 66.52 cm³; (15)Molar Volume: 192.2 cm³; (16)Polarizability: 26.37× 10^-24cm³; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.197 g/cm³; (19)Flash Point: 154.5 °C; (20)Enthalpy of Vaporization: 69.1 kJ/mol; (21)Boiling Point: 403.9 °C at 760 mmHg; (22)Vapour Pressure: 3.01E-07 mmHg at 25°C.

Production method of this chemical: The 2-(6-Methoxynaphthalen-2-yl)propanoic acid could be obtained by the reactants of carbon monoxide and 1-[2-(6-Methoxy)naphthyl]ethylchlorid. This reaction needs the reagents of KOH, Co₂(CO)₈, PhN(CH₃)Br, and the solvent of butan-1-ol. The yield is 35 %. In addition, this reaction should be taken at the temperature of 35 °C and the pressure of 760.

Uses of this chemical: The 2-(6-Methoxynaphthalen-2-yl)propanoic acid could react with diazomethane to obtain the 2-(6-methoxy-2-naphthyl)propionic acid methyl ester. This reaction needs the solvent of diethyl ether. The yield is 65 %. In addition, this reaction should be taken for 1 hour at the temperature of 0 °C.

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

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C
2.InChI: InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)
3.InChIKey: CMWTZPSULFXXJA-UHFFFAOYAT