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| CAS No.: | 613-62-7 |
|---|---|
| Name: | Naphthalene,2-(phenylmethoxy)- |
| Article Data: | 68 |
| Cas Database | |
| Molecular Structure: | |
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| 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 |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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; |
2-(dimethyl-1,1’-dimethylethylsilyloxy)naphthalene
benzyl bromide
2-benzyloxynaphthalene
| Conditions | Yield |
|---|---|
| With cesium fluoride In N,N-dimethyl-formamide for 12h; Ambient temperature; | 97% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
2-benzyloxynaphthalene
| Conditions | Yield |
|---|---|
| With dimethylamine borane; potassium carbonate; triphenylphosphine; nickel In N,N-dimethyl-formamide at 120℃; for 6h; | 92% |
1-bromo-2-(phenylmethoxy)naphthalene
B
2-benzyloxynaphthalene
| Conditions | Yield |
|---|---|
| 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. |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| With sodium hydride; lithium iodide In tetrahydrofuran; mineral oil at 50℃; for 8h; Sealed tube; | 79% |
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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.
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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
