1-Naphthalenecarbonylchloride, 2-ethoxy- (55150-29-3)

The IUPAC name of 2-Ethoxynaphthalene-1-carbonyl chloride is 2-ethoxynaphthalene-1-carbonyl chloride. With the CAS registry number 55150-29-3, it is also named as 1-Naphthalenecarbonyl chloride, 2-ethoxy-. The product's EINECS is 259-502-5 and should keep container sealed and stored in cool and dry place, ensure that the workplace have good ventilation or exhaust. In addition, it is powder and moisture sensitive. Its molecular formula is C₁₃H₁₁ClO₂ and molecular weight is 234.68. This chemial is used as intermediate of Ethoxy naphthalene sodium penicillin.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.7; (4)ACD/LogD (pH 7.4): 3.7; (5)ACD/BCF (pH 5.5): 383.21; (6)ACD/BCF (pH 7.4): 383.21; (7)ACD/KOC (pH 5.5): 2459.41; (8)ACD/KOC (pH 7.4): 2459.41; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 3 ; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 65.65 cm³; (14)Molar Volume: 190.4 cm³ ; (15)Surface Tension: 44.3 dyne/cm; (16)Density: 1.232 g/cm³; (17)Flash Point: 138.5 °C; (18)Melting Point: 76-80 °C; (19)Enthalpy of Vaporization: 62.4 kJ/mol; (20)Boiling Point: 376.4 °C at 760 mmHg; (21)Vapour Pressure: 7.27E-06 mmHg at 25 °C.

Preparation of 2-Ethoxynaphthalene-1-carbonyl chloride: β-naphthol reacts with ethanol under under refluxing in sulfuric acid catalyst, and after etherification to get β-naphtyl ethyl ether. Then under the action of phosphorus oxychloride formylate DMF to get 2 - ethoxy-naphthaldehyde, and use potassium permanganate oxidize aldehyde group to get 2 - ethoxy-naphthoic acid. At last, use thioryl chloride chloridizing to get this chemical.

When you are using this chemical, please be cautious about it as the following: this chemical may cause burns. And when you use it, please wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
SMILES:ClC(=O)c1c2c(ccc1OCC)cccc2
InChI:InChI=1/C13H11ClO2/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3