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613-62-7

Basic Information
CAS No.: 613-62-7
Name: Naphthalene,2-(phenylmethoxy)-
Article Data: 68
Cas Database
Molecular Structure:
Molecular Structure of 613-62-7 (Naphthalene,2-(phenylmethoxy)-)
Formula: C17H14O
Molecular Weight: 234.298
Synonyms: Naphthalene,2-(benzyloxy)- (6CI,7CI,8CI);2-(Benzyloxy)naphthalene;BON (ether);Benzyl 2-naphthyl ether;Benzyl b-naphthyl ether;b-(Benzyloxy)naphthalene;b-Naphthol benzyl ether;b-Naphthyl benzyl ether;
EINECS: 405-490-3
Density: 1.125 g/cm3
Melting Point: 96-98 °C
Boiling Point: 388.1 °C at 760 mmHg
Flash Point: 156.4 °C
Solubility: N/A
Appearance: COA
Hazard Symbols: R53:May cause long-term adverse effects in the aquatic environment.;
Risk Codes: 53
Safety: 61
Transport Information: N/A
PSA: 9.23000
LogP: 4.41880
Synthetic route
1523-11-1

naphthalen-2-yl acetate

100-39-0

benzyl bromide

613-62-7

2-benzyloxynaphthalene

Conditions
ConditionsYield
With sodium methylate In N,N-dimethyl-formamide for 0.5h; Ambient temperature;100%
With 18-crown-6 ether; potassium carbonate In acetone for 1.5h; Heating;79%
875-83-2

sodium 2-naphtholate

100-44-7

benzyl chloride

613-62-7

2-benzyloxynaphthalene

Conditions
ConditionsYield
In various solvent(s) at 110℃; for 24h;97%
In dimethyl sulfoxide at 25℃; for 12h;92%
With ethanol
With tris(dibutylamino)cyclopropenium tetrafluoroborate at 25℃; for 24h; Inert atmosphere;
at 25℃; for 24h; Ionic liquid;
62790-91-4

2-(dimethyl-1,1’-dimethylethylsilyloxy)naphthalene

100-39-0

benzyl bromide

613-62-7

2-benzyloxynaphthalene

Conditions
ConditionsYield
With cesium fluoride In N,N-dimethyl-formamide for 12h; Ambient temperature;97%
100-39-0

benzyl bromide

135-19-3

β-naphthol

613-62-7

2-benzyloxynaphthalene

Conditions
ConditionsYield
With sodium hydroxide; phosphonium resin In dichloromethane; water for 48h; Ambient temperature;96%
With potassium carbonate In acetonitrile Reflux;93%
With caesium carbonate In acetonitrile for 5h; Heating;92%
100-44-7

benzyl chloride

135-19-3

β-naphthol

613-62-7

2-benzyloxynaphthalene

Conditions
ConditionsYield
With potassium hydroxide; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate at 25℃; for 2h; Williamson synthesis;93%
With sodium hydroxide; diphenylether; tetrabutylammomium bromide In water; toluene at 90℃; for 3h; low energy microwave irradiation;92%
copper; copper dichloride for 0.0333333h; Alkylation; Irradiation;90%
580-13-2

2-bromonaphthalene

100-51-6

benzyl alcohol

613-62-7

2-benzyloxynaphthalene

Conditions
ConditionsYield
With copper(l) iodide; sodium carbonate; 2-(pyrrolidin-1-yl)acetic acid In N,N-dimethyl-formamide at 100℃; Reagent/catalyst; Solvent;93%
With potassium tert-butylate; C11H21ClN2NiO; bis(pinacol)diborane In toluene at 60℃; for 24h;51%
With potassium tert-butylate In 1-methyl-pyrrolidin-2-one at 200℃; for 0.75h; Microwave irradiation;35%

7-(benzyloxy)-naphthalen-2-yl-4-methylbenzenesulfonate

613-62-7

2-benzyloxynaphthalene

Conditions
ConditionsYield
With dimethylamine borane; potassium carbonate; triphenylphosphine; nickel In N,N-dimethyl-formamide at 120℃; for 6h;92%
41908-23-0

1-bromo-2-(phenylmethoxy)naphthalene

(R)-2,2'-bis(benzyloxy)-1,1'-binaphthalene

B

613-62-7

2-benzyloxynaphthalene

Conditions
ConditionsYield
With (1,2-dimethoxyethane)dichloronickel(II); (3aS,8aR)-2-(6-cyclohexylpyridin-2-yl)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole; sodium iodide In N,N-dimethyl-formamide at 0℃; for 36h; Reagent/catalyst; Temperature; Electrochemical reaction; Molecular sieve; Glovebox; enantioselective reaction;A 88%
B 10 %Spectr.
With (1,2-dimethoxyethane)dichloronickel(II); (3aS,8aR)-2-(6-cyclohexylpyridin-2-yl)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole; sodium iodide In N,N-dimethyl-formamide at 15℃; for 12h; Reagent/catalyst; Electrochemical reaction; Glovebox; enantioselective reaction;A 10 %Spectr.
B 85 %Spectr.
53772-44-4

benzyloxydiphenylphosphine

135-19-3

β-naphthol

613-62-7

2-benzyloxynaphthalene

Conditions
ConditionsYield
With 2,6-dimethyl-1,4-benzoquinone In dichloromethane at 20℃; for 0.5h;84%
With 2,6-dimethyl-1,4-benzoquinone In dichloromethane at 20℃; for 0.5h;84%
2234-45-9

6-benzyloxy-2-bromonaphthalene

613-62-7

2-benzyloxynaphthalene

Conditions
ConditionsYield
With sodium hydride; lithium iodide In tetrahydrofuran; mineral oil at 50℃; for 8h; Sealed tube;79%
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Specification

The 2-(Phenylmethoxy)-naphthalene, with its CAS registry number 613-62-7, has the IUPAC name of 2-phenylmethoxynaphthalene. For being a kind of white or light yellow powder, it is nearly insoluble in all solvents. And its product categories are including Industrial/Fine Chemicals; Color Former & Related Compounds; Functional Materials; Sensitizer. Besides, it may cause long-term adverse effects in the aquatic environment, so you should avoid releasing to the environment and then could refer to special instructions/safety data sheet.

The characteristics of 2-(Phenylmethoxy)-naphthalene are as follows: (1)ACD/LogP: 5.02; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.02; (4)ACD/LogD (pH 7.4): 5.02; (5)ACD/BCF (pH 5.5): 3845.81; (6)ACD/BCF (pH 7.4): 3845.81; (7)ACD/KOC (pH 5.5): 12815.28; (8)ACD/KOC (pH 7.4): 12815.28; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 75.26 cm3; (15)Molar Volume: 208.2 cm3; (16)Polarizability: 29.83×10-24 cm3; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.125 g/cm3; (19)Flash Point: 156.4 °C; (20)Enthalpy of Vaporization: 61.23 kJ/mol; (21)Boiling Point: 388.1 °C at 760 mmHg; (22)Vapour Pressure: 7.02E-06 mmHg at 25°C; (23)Exact Mass: 234.104465; (24)MonoIsotopic Mass: 234.104465; (25)Topological Polar Surface Area: 9.2; (26)Heavy Atom Count: 18; (27)Complexity: 244.

Production method of this chemical: chloromethyl-benzene could react with naphthalen-2-ol; sodium salt to produce 2-(Phenylmethoxy)-naphthalene. This reaction could happen in the presence of the reagent of ethanol.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)COC2=CC3=CC=CC=C3C=C2
(2)InChI: InChI=1S/C17H14O/c1-2-6-14(7-3-1)13-18-17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2
(3)InChIKey: WLTCCDHHWYAMCG-UHFFFAOYSA-N