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(R)-2'-Methoxy-[1,1']binaphthalenyl-2-ol (35193-70-5)

Identification
Name:(R)-2'-Methoxy-[1,1']binaphthalenyl-2-ol
Synonyms:(R)-(+)-2-Hydroxy-2'-methoxy-1,1'-binaphthalene
CAS:35193-70-5
Molecular Formula: C21H16O2
Molecular Weight: 300.35
InChI: InChI=1/C21H16O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-13,22H,1H3
Molecular Structure: (C21H16O2) (R)-(+)-2-Hydroxy-2'-methoxy-1,1'-binaphthalene
Properties
Flash Point: 227.2°C
Boiling Point: 435.3°C at 760 mmHg
Density:1.224g/cm3
Refractive index:1.702
Specification:

The IUPAC name of (R)-2'-Methoxy-[1,1']binaphthalenyl-2-ol is 1-(2-Methoxynaphthalen-1-yl)naphthalen-2-ol. With the CAS registry number 35193-70-5, it is also named as (R)-(+)-2-Hydroxy-2'-methoxy-1,1'-binaphthalene. In addition, its molecular formula is C21H16O2 and molecular weight is 300.35.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.359; (4)ACD/LogD (pH 7.4): 5.336; (5)ACD/BCF (pH 5.5): 6966.027; (6)ACD/BCF (pH 7.4): 6595.935; (7)ACD/KOC (pH 5.5): 19602.51; (8)ACD/KOC (pH 7.4): 18561.063; (9)H bond acceptors: 2; (10)H bond donors: 1; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.702; (14)Molar Refractivity: 95.09 cm3; (15)Molar Volume: 245.382 cm3; (16)Polarizability: 37.697×10-24cm3; (17)Surface Tension: 52.33 dyne/cm; (18)Density: 1.224 g/cm3; (19)Flash Point: 227.213 °C; (20)Enthalpy of Vaporization: 71.823 kJ/mol; (21)Boiling Point: 435.28 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of (R)-2'-Methoxy-[1,1']binaphthalenyl-2-ol: this chemical can be prepared by Iodomethane and [1,1']Binaphthalenyl-2,2'-diol.



This reaction needs t-BuOK and Tetrahydrofuran by heating. The reaction time is 15 hours. The yield is 61.6 %.

Uses of (R)-2'-Methoxy-[1,1']binaphthalenyl-2-ol: it can react with Oxo-phenyl-acetyl chloride to get Oxo-phenyl-acetic acid 2'-methoxy-[1,1']binaphthalenyl-2-yl ester.



This reaction needs Pyridine and Benzene at ambient temperature. The reaction time is 3 hours. The yield is 92 %.

People can use the following data to convert to the molecule structure.
(1)SMILES:COc1ccc2ccccc2c1c3c4ccccc4ccc3O
(2)InChI:InChI=1/C21H16O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-13,22H,1H3
(3)InChIKey:SYSSVMYYSHYMAQ-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C21H16O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-13,22H,1H3
(5)Std. InChIKey:SYSSVMYYSHYMAQ-UHFFFAOYSA-N

Flash Point: 227.2°C
Safety Data
 

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