CAS No.79547-82-3,(S)-(-)-2-Hydroxy-2'-methoxy-1,1'-bi-naphthol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	79547-82-3
Name:	(S)-(-)-2-Hydroxy-2'-methoxy-1,1'-bi-naphthol
Article Data:	2

Formula:	C₂₁H₁₆O₂
Molecular Weight:	300.357
Synonyms:	[1,1'-Binaphthalen]-2-ol,2'-methoxy-, (R)-;(R)-2-Hydroxy-2'-methoxy-1,1'-binaphthyl;2'-Methoxy-1,1'-binaphthalen-2-ol;1-(2-methoxynaphthalen-1-yl)naphthalen-2-ol;
Density:	1.224 g/cm³
Melting Point:	107-109℃
Boiling Point:	435.28 °C at 760 mmHg
Flash Point:	227.213 °C
PSA:	69.92000
LogP:	1.26600

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Specification

This chemical is called (S)-(-)-2-Hydroxy-2'-methoxy-1,1'-bi-naphthol , and it can also be named as 1-(2-Methoxynaphthalen-1-yl)naphthalen-2-ol. With the molecular formula of C₂₁H₁₆O₂, its molecular weight is 300.35. The CAS registry number of this chemical is 79547-82-3, and its systematic name is 2'-Methoxy-1,1'-binaphthalen-2-ol.

Other characteristics of the (S)-(-)-2-Hydroxy-2'-methoxy-1,1'-bi-naphthol can be summarised as followings: (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.

Production method of this chemical: The (S)-(-)-2-Hydroxy-2'-methoxy-1,1'-bi-naphthol could be obtained by the reactants of iodomethane and [1,1']binaphthalenyl-2,2'-diol. This reaction needs the reagent of t-BuOK, and the solvent of tetrahydrofuran. The yield is 61.6 %. In addition, this reaction should be taken for 15 hours. The other condition is heating.

The (S)-(-)-2-Hydroxy-2'-methoxy-1,1'-bi-naphthol could be obtained by the reactants of iodomethane and [1,1']binaphthalenyl-2,2'-diol.

Uses of this chemical: The Oxo-phenyl-acetic acid 2'-methoxy-[1,1']binaphthalenyl-2-yl ester could be obtained by the reactants of Oxo-phenyl-acetyl chloride and [1,1'-Binaphthalen]-2-ol,2'-methoxy-. This reaction needs the reagent of pyridine, and the solvent of benzene. The yield is 92 %. This reaction should be taken for 3 hours at the ambient temperature.

The Oxo-phenyl-acetic acid 2'-methoxy-[1,1']binaphthalenyl-2-yl ester could be obtained by the reactants of Oxo-phenyl-acetyl chloride and [1,1'-Binaphthalen]-2-ol,2'-methoxy-.

You can still convert the following datas into molecular 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