Cas no 846-63-9 (2-(Naphthalen-1-yl)-5-phenyloxazole)

2-(Naphthalen-1-yl)-5-phenyloxazole structure
846-63-9 structure
Product Name:2-(Naphthalen-1-yl)-5-phenyloxazole
CAS No:846-63-9
MF:C19H13NO
MW:271.312624692917
MDL:MFCD00019714
CID:83133
PubChem ID:24897414
Update Time:2024-10-26

2-(Naphthalen-1-yl)-5-phenyloxazole Chemical and Physical Properties

Names and Identifiers

    • 2-(1-naphthyl)-5-phenyloxazole
    • 2-(1-Naphthyl)-5-phenyloxazole [for scintillation spectrometry]
    • 2-(1-Naphthyl)-5-phenyl-1,3-oxazole
    • 2-(1-NAPHTHYL)-5-PHENYLOXAZOLE FOR LIQUID SCINTILLATION SPECTROMETRY
    • 2-naphthalen-1-yl-5-phenyl-1,3-oxazole
    • 2,6-DICHLORO-4-HYDROXY-3-NITROPYRIDINE
    • 2-naphthalen-1-yl-5-phenyl-oxazole
    • 2-naphthyl-5-phenyl-1,3-oxazole
    • A-naphthyl-5-phenyloxazole
    • α-NPO
    • ANPO
    • 2-(1-naphthalenyl)-5-phenyl-oxazol
    • alpha-npo
    • 5-Phenyl-2-cc-naphthyl-oxazol
    • 2-alpha-Naphthyl-5-phenyloxazole
    • NSC 24857
    • Oxazole, 2-(1-naphthalenyl)-5-phenyl-
    • 2-(Naphthalen-1-yl)-5-phenyloxazole
    • Oxazole, 2-(1-naphthyl)-5-phenyl-
    • .alpha.-NPO
    • E08CN4XD65
    • 2-.alpha.-Naphthyl-5-phenyloxazole
    • 2-(1-Naphthyl)-5-phenyloxazole (NPO)
    • 2-a-Naphthyl-5-phenyloxazole
    • 2-(naphthalen-1-yl)-5-phenyl-1,3-oxazole
    • NSC248
    • 2-(1-Naphthalenyl)-5-phenyloxazole (ACI)
    • Oxazole, 2-(1-naphthyl)-5-phenyl- (6CI, 7CI, 8CI)
    • 2-Phenyl-5-α-naphthyl-1,4-oxazole
    • 2-α-Naphthyl-5-phenyloxazole
    • α-Naphthyl-2-phenyl-5-oxazole-1,3
    • α-Naphthylphenyloxazole
    • MFCD00019714
    • 2-PHENYL-5-ALPHA-NAPHTHYL-1,4-OXAZOLE
    • STK022867
    • Q9398027
    • NSC24857
    • Oxazole, 2(1naphthalenyl)5phenyl
    • ALBB-024882
    • 2-(1-Naphthyl)-5-phenyloxazole, laser grade and suitable for scintillation spectrometry
    • 2-PHENYL-5-.ALPHA.-NAPHTHYL-1,4-OXAZOLE
    • DTXCID5048429
    • D97684
    • UNII-E08CN4XD65
    • SR-01000416446
    • 846-63-9
    • Oxazole, 2(1naphthyl)5phenyl
    • SR-01000416446-1
    • 2-(1-NAPHTHALENYL)-5-PHENYLOXAZOLE
    • 2alphaNaphthyl5phenyloxazole
    • 2-(1-Naphthyl)-5-phenyl-1,3-oxazole #
    • SCHEMBL75682
    • DTXSID8061210
    • HY-W040209
    • .ALPHA.-NAPHTHYL-2-PHENYL-5-OXAZOLE-1,3
    • NS00042475
    • EINECS 212-689-7
    • NSC-24857
    • ALPHA-NAPHTHYL-2-PHENYL-5-OXAZOLE-1,3
    • AKOS000483724
    • CS-W020949
    • 2-(1-Naphthyl)-5-phenyloxazole, suitable for liquid scintillation spectrometry, crystalline
    • DB-056815
    • .alpha.-Naphthylphenyloxazole
    • CCG-237436
    • MDL： MFCD00019714
    • Inchi： 1S/C19H13NO/c1-2-8-15(9-3-1)18-13-20-19(21-18)17-12-6-10-14-7-4-5-11-16(14)17/h1-13H
    • InChI Key： WWVFJJKBBZXWFV-UHFFFAOYSA-N
    • SMILES： N1=C(C2C3C(=CC=CC=3)C=CC=2)OC(C2C=CC=CC=2)=C1
    • BRN： 210666

Computed Properties

  • Exact Mass: 271.10000
  • Monoisotopic Mass: 271.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 339
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 5.9
  • Topological Polar Surface Area: 26

Experimental Properties

  • Color/Form: Light green crystals
  • Density: 1.178±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 104.0 to 107.0 deg-C
  • Solubility: Insuluble (4.1E-4 g/L) (25 oC),
  • PSA: 26.03000
  • LogP: 5.16180
  • Solubility: Not determined

2-(Naphthalen-1-yl)-5-phenyloxazole Security Information

  • WGK Germany：3
  • Hazard Category Code： 20/21/22-34-11
  • Safety Instruction： S22-S24/25
  • Hazardous Material Identification： F C
  • Risk Phrases：R20/21/22
  • TSCA：Yes

2-(Naphthalen-1-yl)-5-phenyloxazole Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(Naphthalen-1-yl)-5-phenyloxazole Pricemore >>

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2-(Naphthalen-1-yl)-5-phenyloxazole Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: tert-Butyl hydroperoxide ,  Cesium carbonate ,  Ammonium oxalate monohydrate Catalysts: Iodine Solvents: Dimethyl sulfoxide ;  10 h, 100 °C
Reference
I2/TBHP-mediated tandem cyclization and oxidation reaction: Facile access to 2,5-disubstituted oxazoles
Guo, Xin; Liu, Xianyan; Li, Chonglong; Jiang, Zhibo; Nan, Zedong; et al, Tetrahedron Letters, 2022, 112,

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium carbonate ,  Oxygen ,  Copper bromide (CuBr2) Catalysts: Pyridine Solvents: Toluene ;  10 min, 1 atm, rt; 16 h, 80 °C
Reference
Synthesis of oxazoles through copper-mediated aerobic oxidative dehydrogenative annulation and oxygenation of aldehydes and amines
Xu, Zejun; Zhang, Chun; Jiao, Ning, Angewandte Chemie, 2012, 51(45), 11367-11370

Production Method 3

Reaction Conditions
1.1 Catalysts: Trifluoromethanesulfonic acid ,  Silica Solvents: Toluene ;  0.5 h, 50 °C
1.2 50 °C; 3.5 h, 70 °C
1.3 Reagents: 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone ,  Cupric chloride ,  Lithium chloride ,  Oxygen Solvents: 1-Propanol ,  1,4-Dioxane ;  4 h, 1.3 MPa, 60 °C
Reference
Convenient One-Pot Synthesis of 2,5-Disubstituted Oxazoles via a Catalytic Oxidative Dehydrogenation of F3CSO3H·SiO2-DDQ/CuCl2/LiCl
Yuan, Shizhen; Li, Zhen; Xu, Ling, Journal of Heterocyclic Chemistry, 2013, 50(6), 1405-1409

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium tert-butoxide Catalysts: Di-μ-chlorobis(η3-2-propenyl)dipalladium ,  1H-Imidazolium, 1,3-bis[2,6-bis(1-methylethyl)phenyl]-, chloride (1:1) Solvents: Dimethylformamide ;  12 h, 120 °C
Reference
Palladium-Catalyzed C-H Arylation of (Benzo)oxazoles or (Benzo)thiazoles with Aryltrimethylammonium Triflates
Zhu, Feng; Tao, Jian-Long; Wang, Zhong-Xia, Organic Letters, 2015, 17(19), 4926-4929

Production Method 5

Reaction Conditions
1.1 Catalysts: Dirhodium tetraacetate Solvents: Chloroform ;  12 h, 120 °C
Reference
Synthesis of 2,5-diaryloxazoles through rhodium-catalyzed annulation of triazoles and aldehydes
Li, Jian; Zhu, Shang-Rong; Xu, Yue; Lu, Xue-Chen; Wang, Zheng-Bing; et al, RSC Advances, 2020, 10(42), 24795-24799

Production Method 6

Reaction Conditions
1.1 Reagents: Silver carbonate ,  Triphenylphosphine Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: Dichloromethane
Reference
Palladium Cross-Couplings of Oxazoles
Flegeau, Emmanuel Ferrer, 2008, , ,

Production Method 7

Reaction Conditions
1.1 Reagents: Silver carbonate Catalysts: Triphenylphosphine ,  Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: Water ;  16 h, 70 °C
Reference
Direct arylation of oxazoles at C2. a concise approach to consecutively linked oxazoles
Flegeau, Emmanuel Ferrer; Popkin, Matthew E.; Greaney, Michael F., Organic Letters, 2008, 10(13), 2717-2720

Production Method 8

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexane
1.2 Reagents: Zinc chloride Solvents: Diethyl ether
1.3 Solvents: Tetrahydrofuran
1.4 Reagents: Butyllithium Catalysts: Dichlorobis(triphenylphosphine)palladium
Reference
Palladium-catalyzed cross coupling reactions of oxazol-2-ylzinc chloride derivatives
Anderson, Benjamin A.; Harn, Nancy K., Synthesis, 1996, (5), 583-585

Production Method 9

Reaction Conditions
1.1 Reagents: Lithium tert-butoxide Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: 1,4-Dioxane ;  2 - 5 h, 120 °C
Reference
C-H bond activation: a versatile protocol for the direct arylation and alkenylation of oxazoles
Besselievre, Francois; Lebrequier, Sabrina; Mahuteau-Betzer, Florence; Piguel, Sandrine, Synthesis, 2009, (20), 3511-3518

2-(Naphthalen-1-yl)-5-phenyloxazole Raw materials

2-(Naphthalen-1-yl)-5-phenyloxazole Preparation Products

2-(Naphthalen-1-yl)-5-phenyloxazole Related Literature

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