1-Naphthalenol,5,8-dihydro- (27673-48-9)

The 5,8-Dihydronaphthol, with the CAS registry number 27673-48-9 and EINECS registry number 248-596-3, has the systematic name and IUPAC name of 5,8-dihydronaphthalen-1-ol. And the molecular formula of the chemical is C₁₀H₁₀O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 78.11; (6)ACD/BCF (pH 7.4): 77.98; (7)ACD/KOC (pH 5.5): 787.76; (8)ACD/KOC (pH 7.4): 786.48; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 44.52 cm³; (15)Molar Volume: 127.9 cm³; (16)Polarizability: 17.65×10^-24cm³; (17)Surface Tension: 49.7 dyne/cm; (18)Density: 1.142 g/cm³; (19)Flash Point: 119 °C; (20)Enthalpy of Vaporization: 52.3 kJ/mol; (21)Boiling Point: 264.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00579 mmHg at 25°C.

Preparation of 5,8-Dihydronaphthol: This chemical can be prepared by naphthalen-1-ol. The reaction will need reagent NaCl, NaI and t-amylol , the menstruum liquid ammonia and electrochemical reduction. The yield of the reaction is about 70%. 

Uses of 5,8-Dihydronaphthol: It can react with acetoacetic acid ethyl ester to produce 4-methyl-7,10-dihydro-benzo[h]chromen-2-one. This reaction will need reagent phosphoryl chloride, and the menstruum benzene. The reaction time is 12 hours with heating, and the yield is about 70%.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1cccc2c1C\C=C/C2
(2)InChI: InChI=1/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,5,7,11H,4,6H2
(3)InChIKey: OAHLLHJOPUWLKW-UHFFFAOYAQ