Cas no 83664-33-9 (2-(Benzyloxy)-5-bromopyridine)

2-(Benzyloxy)-5-bromopyridine structure
2-(Benzyloxy)-5-bromopyridine structure
Product Name:2-(Benzyloxy)-5-bromopyridine
CAS No:83664-33-9
MF:C12H10BrNO
MW:264.1179022789
MDL:MFCD09037462
CID:90853
PubChem ID:11108191
Update Time:2024-10-26

2-(Benzyloxy)-5-bromopyridine Chemical and Physical Properties

Names and Identifiers

    • 2-(Benzyloxy)-5-bromopyridine
    • 2-Benzyloxy-5-bromopyridine
    • 2-Benzyloxy-5-bromo-pyridine
    • 5-bromo-2-phenylmethoxypyridine
    • 6-Benzyloxy-3-bromopyridine
    • Pyridine, 5-bromo-2-(phenylmethoxy)-
    • 5-bromanyl-2-phenylmethoxy-pyridine
    • A840629
    • LXKTVNFZAFTUNZ-UHFFFAOYSA-N
    • B5905
    • FT-0646589
    • Pyridine,5-bromo-2-(phenylmethoxy)-
    • 83664-33-9
    • SCHEMBL510168
    • BS-2111
    • SY037172
    • CS-W005570
    • AKOS005256993
    • AC-33313
    • 5-Bromo-2-(benzyloxy)pyridine
    • MFCD09037462
    • AM87224
    • 5-bromo-2-benzyloxy-pyridine
    • DTXSID10455522
    • 5-Bromo-2-(phenylmethoxy)pyridine (ACI)
    • BBL101084
    • STL554878
    • 5-BroMo-2-benzyloxypyridine
    • DB-000443
    • MDL： MFCD09037462
    • Inchi： 1S/C12H10BrNO/c13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
    • InChI Key： LXKTVNFZAFTUNZ-UHFFFAOYSA-N
    • SMILES： BrC1=CN=C(C=C1)OCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 262.99500
  • Monoisotopic Mass: 262.99458g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 183
  • 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: 3.3
  • Topological Polar Surface Area: 22.1?2

Experimental Properties

  • Color/Form: White crystal powder
  • Density: 1.439
  • Melting Point: 47.0 to 51.0 deg-C
  • Boiling Point: 185°C/14mmHg(lit.)
  • Flash Point: 331.248 °C at 760 mmHg
  • Refractive Index: 1.605
  • PSA: 22.12000
  • LogP: 3.42310
  • Solubility: Not determined

2-(Benzyloxy)-5-bromopyridine Security Information

2-(Benzyloxy)-5-bromopyridine Customs Data

  • HS CODE：2933399090
  • Customs Data：

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(Benzyloxy)-5-bromopyridine Pricemore >>

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2-(Benzyloxy)-5-bromopyridine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ;  30 min, 0 °C
1.2 overnight, 70 °C
1.3 Reagents: Water
Reference
Optimization of triarylpyridinone inhibitors of the main protease of SARS-CoV-2 to low-nanomolar antiviral potency
Zhang, Chun-Hui; et al, ACS Medicinal Chemistry Letters, 2021, 12(8), 1325-1332

Production Method 2

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Water ;  rt → 5 °C
1.2 Reagents: Sulfuric acid ,  Hydrogen peroxide Solvents: Water ;  overnight, rt
1.3 Reagents: Potassium hydroxide Solvents: Water ;  basified, rt
2.1 Reagents: Cesium carbonate Catalysts: 1,10-Phenanthroline ,  Cuprous iodide Solvents: Toluene ;  24 h, 110 °C
Reference
A Simple Cu-Catalyzed Coupling Approach to Substituted 3-Pyridinol and 5-Pyrimidinol Antioxidants
Nara, Susheel J.; et al, Journal of Organic Chemistry, 2008, 73(23), 9326-9333

Production Method 3

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Solvents: Acetonitrile ;  0 °C; overnight, rt
2.1 Reagents: Sulfuric acid Solvents: Water ;  rt → 5 °C
2.2 Reagents: Sulfuric acid ,  Hydrogen peroxide Solvents: Water ;  overnight, rt
2.3 Reagents: Potassium hydroxide Solvents: Water ;  basified, rt
3.1 Reagents: Cesium carbonate Catalysts: 1,10-Phenanthroline ,  Cuprous iodide Solvents: Toluene ;  24 h, 110 °C
Reference
A Simple Cu-Catalyzed Coupling Approach to Substituted 3-Pyridinol and 5-Pyrimidinol Antioxidants
Nara, Susheel J.; et al, Journal of Organic Chemistry, 2008, 73(23), 9326-9333

Production Method 4

Reaction Conditions
1.1 Reagents: Diisopropylethylamine ,  Polyoxyethylene sorbitan monolaurate Solvents: Water ;  3 h, rt
1.2 Reagents: Methanol
Reference
Mild and Regioselective N-Alkylation of 2-Pyridones in Water
Hao, Xin; et al, Organic Letters, 2015, 17(14), 3382-3385

Production Method 5

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Dimethylformamide ;  cooled; 30 min, rt
1.2 Solvents: Dimethylformamide ;  rt; 5 h, rt
1.3 Solvents: Acetic acid ;  0 °C; 30 min, 0 °C
Reference
Pyridone derivatives carrying radical moieties: Hydrogen-bonded structures, magnetic properties, and metal coordination
Ueda, Mikio; et al, Polyhedron, 2013, 52, 755-760

Production Method 6

Reaction Conditions
1.1 Reagents: Zinc oxide (ZnO) ,  Diisopropylethylamine ,  Zinc chloride Solvents: 1,4-Dioxane ;  110 °C
Reference
Zinc(II)-mediated selective O-benzylation of 2-Oxo-1,2-dihydropyridines systems
Zhou, Qifan; et al, Molecules, 2018, 23(7), 1784/1-1784/14

Production Method 7

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ;  20 min, 0 °C
1.2 Solvents: Tetrahydrofuran ;  30 min, 0 °C; 0 °C → rt; 12 h, rt
1.3 Reagents: Water ;  cooled
Reference
Design and synthesis of 2-pyridones as novel inhibitors of the Bacillus anthracis enoyl-ACP reductase
Tipparaju, Suresh K.; et al, Bioorganic & Medicinal Chemistry Letters, 2008, 18(12), 3565-3569

Production Method 8

Reaction Conditions
1.1 Reagents: Cesium carbonate Catalysts: 1,10-Phenanthroline ,  Cuprous iodide Solvents: Toluene ;  24 h, 110 °C
Reference
A Simple Cu-Catalyzed Coupling Approach to Substituted 3-Pyridinol and 5-Pyrimidinol Antioxidants
Nara, Susheel J.; et al, Journal of Organic Chemistry, 2008, 73(23), 9326-9333

Production Method 9

Reaction Conditions
1.1 Reagents: Diisopropylethylamine ,  Polyoxyethylene sorbitan monolaurate Solvents: Water ;  6 d, rt
1.2 Reagents: Methanol
Reference
Mild and Regioselective N-Alkylation of 2-Pyridones in Water
Hao, Xin; et al, Organic Letters, 2015, 17(14), 3382-3385

2-(Benzyloxy)-5-bromopyridine Raw materials

2-(Benzyloxy)-5-bromopyridine Preparation Products

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