Cas no 80480-15-5 (1-(Bromoacetyl)pyrene)

1-(Bromoacetyl)pyrene structure
1-(Bromoacetyl)pyrene structure
Product Name:1-(Bromoacetyl)pyrene
CAS No:80480-15-5
MF:C18H11BrO
MW:323.183344125748
MDL:MFCD00191839
CID:722940
PubChem ID:24864593
Update Time:2024-10-27

1-(Bromoacetyl)pyrene Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-1-(pyren-1-yl)ethanone
    • 1-(BROMOACETYL)PYRENE
    • 2-bromo-1-(1-pyrenyl)Ethanone
    • 2-bromo-1-(pyren-3-yl)ethanone
    • 2-bromo-1-pyren-1-ylethanone
    • Ethanone,2-bromo-1-(1-pyrenyl)-
    • 2-Bromo-1-(1-pyrenyl)ethanone (ACI)
    • 1-Bromoacetylpyrene
    • 2-bromo-1-(1-pyrenyl)Ethanone;2-bromo-1-(pyren-3-yl)ethanone;2-broMo-1-(pyren-1-yl)ethanone
    • 1-(Bromoacetyl)pyrene, 97%
    • FT-0605812
    • AKOS015904432
    • 2-bromo-1-(pyren-1-yl)ethan-1-one
    • A23484
    • SCHEMBL2048935
    • KAEDEGFCOPIKKM-UHFFFAOYSA-N
    • 80480-15-5
    • L10081
    • BS-42222
    • J-503504
    • DTXSID30230358
    • MFCD00191839
    • 2-Bromo-1-(1-pyrenyl)ethanonet
    • AMY10485
    • LCZC2593
    • Ethanone, 2-bromo-1-(1-pyrenyl)-
    • DTXCID30152849
    • 1-(Bromoacetyl)pyrene
    • MDL： MFCD00191839
    • Inchi： 1S/C18H11BrO/c19-10-16(20)14-8-6-13-5-4-11-2-1-3-12-7-9-15(14)18(13)17(11)12/h1-9H,10H2
    • InChI Key： KAEDEGFCOPIKKM-UHFFFAOYSA-N
    • SMILES： O=C(CBr)C1C2C3C(C=CC4C=3C(=CC=2)C=CC=4)=CC=1

Computed Properties

  • Exact Mass: 321.99900
  • Monoisotopic Mass: 321.999
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 393
  • 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: 2
  • XLogP3: 5.5
  • Topological Polar Surface Area: 17.1A^2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.563
  • Melting Point: 129-131?°C (lit.)
  • Boiling Point: 476.7 °C at 760 mmHg
  • Flash Point: 109.3 °C
  • Refractive Index: 1.823
  • PSA: 17.07000
  • LogP: 5.16160
  • Solubility: Not determined

1-(Bromoacetyl)pyrene Security Information

1-(Bromoacetyl)pyrene Customs Data

  • HS CODE：2914700090
  • Customs Data：

    China Customs Code:

    2914700090

    Overview:

    2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

1-(Bromoacetyl)pyrene Pricemore >>

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1-(Bromoacetyl)pyrene Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Aluminum chloride Solvents: Dichloromethane ;  3 h, rt
Reference
Water-Soluble Full-Length Single-Wall Carbon Nanotube Polyelectrolytes: Preparation and Characterization
Paloniemi, Hanna; et al, Journal of Physical Chemistry B, 2005, 109(18), 8634-8642

Production Method 2

Reaction Conditions
1.1 Reagents: Aluminum bromide Solvents: Dichloromethane ;  45 min, 0 °C; 22 h, rt
Reference
Synthesis of end-cap precursor molecules for (6,6) armchair and (9,0) zig-zag single-walled carbon nanotubes
Mueller, Andreas; et al, Tetrahedron Letters, 2010, 51(24), 3221-3225

Production Method 3

Reaction Conditions
1.1 Reagents: Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1) Solvents: Tetrahydrofuran ;  3 h, rt
Reference
Photophysical Behaviour of Novel Quaternary Pyrenoyl Salts and Their Sensitivity Towards Bile Salt Micellization
Saravanan, M.; et al, Journal of Fluorescence, 2022, 32(4), 1557-1563

Production Method 4

Reaction Conditions
1.1 Catalysts: Aluminum chloride Solvents: Dichloromethane ;  0 °C; 0 °C → rt; 3.5 h, rt
Reference
Indolizine-Squaraines: NIR Fluorescent Materials with Molecularly Engineered Stokes Shifts
McNamara, Louis E. ; et al, Chemistry - A European Journal, 2017, 23(51), 12494-12501

Production Method 5

Reaction Conditions
1.1 Reagents: Aluminum chloride Solvents: Dichloromethane ;  3 h, rt
Reference
Nanomolar Level Detection of Uric Acid in Blood Serum and Pest-Infested Grain Samples by an Amphiphilic Probe
Dey, Nilanjan; et al, Analytical Chemistry (Washington, 2017, 89(19), 10376-10383

Production Method 6

Reaction Conditions
1.1 Reagents: Aluminum chloride Solvents: Dichloromethane ;  0 °C → rt; overnight, rt
1.2 Solvents: Water ;  cooled
Reference
Rapid Identification of Bacteria by Membrane-Responsive Aggregation of a Pyrene Derivative
Long, Shuangshuang; et al, ACS Sensors, 2019, 4(2), 281-285

Production Method 7

Reaction Conditions
1.1 Catalysts: Aluminum bromide Solvents: Dichloromethane
Reference
A very convenient synthesis of cyclopenta[cd]pyrene
Spijker, Nynke M.; et al, Journal of Organic Chemistry, 1990, 55(2), 756-8

Production Method 8

Reaction Conditions
1.1 Reagents: Copper bromide (CuBr) Solvents: Chloroform ,  Ethyl acetate ;  45 min, reflux; 7 h, reflux
Reference
Nucleophilicity and solvent effects on the kinetics of 4-(pyren-1-yl)thiazol-2-amine interaction with 4,6-dinitrobenzofuroxan
El Guesmi, Nizar; et al, Arabian Journal of Chemistry, 2020, 13(2), 3702-3713

Production Method 9

Reaction Conditions
1.1 Reagents: Copper bromide (CuBr2) Solvents: Ethyl acetate ;  6 h, reflux
Reference
1-Acetylpyrene-Salicylic Acid: Photoresponsive Fluorescent Organic Nanoparticles for the Regulated Release of a Natural Antimicrobial Compound, Salicylic Acid
Barman, Shrabani; et al, ACS Applied Materials & Interfaces, 2014, 6(10), 7045-7054

Production Method 10

Reaction Conditions
1.1 Reagents: Aluminum chloride Solvents: Nitrobenzene ;  30 min, 10 °C; 6 h, 10 °C
2.1 Reagents: Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1) Solvents: Tetrahydrofuran ;  3 h, rt
Reference
Photophysical Behaviour of Novel Quaternary Pyrenoyl Salts and Their Sensitivity Towards Bile Salt Micellization
Saravanan, M.; et al, Journal of Fluorescence, 2022, 32(4), 1557-1563

Production Method 11

Reaction Conditions
1.1 Catalysts: Aluminum chloride Solvents: Dichloromethane ;  2 h, 0 °C; 3 h, 0 °C; overnight, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  rt; 2 h, rt
2.1 Reagents: Copper bromide (CuBr) Solvents: Chloroform ,  Ethyl acetate ;  45 min, reflux; 7 h, reflux
Reference
Nucleophilicity and solvent effects on the kinetics of 4-(pyren-1-yl)thiazol-2-amine interaction with 4,6-dinitrobenzofuroxan
El Guesmi, Nizar; et al, Arabian Journal of Chemistry, 2020, 13(2), 3702-3713

1-(Bromoacetyl)pyrene Raw materials

1-(Bromoacetyl)pyrene Preparation Products

1-(Bromoacetyl)pyrene Related Literature

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