Cas no 89978-52-9 (Ethyl 2-bromoisonicotinate)

Ethyl 2-bromoisonicotinate structure
Ethyl 2-bromoisonicotinate structure
Product Name:Ethyl 2-bromoisonicotinate
CAS No:89978-52-9
MF:C8H8BrNO2
MW:230.058621406555
MDL:MFCD06205252
CID:720061
PubChem ID:3847769
Update Time:2024-10-26

Ethyl 2-bromoisonicotinate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-bromoisonicotinate
    • 2-Bromopyridine-4-carboxylic acid ethyl ester
    • 4-Pyridinecarboxylicacid, 2-bromo-, ethyl ester
    • ethyl 2-bromopyridine-4-carboxylate
    • ETHYL-2-BROMOISONICOTINATE
    • ETHYL2-BROMOISONICOTINATE
    • 4-Pyridinecarboxylic acid, 2-bromo-, ethyl ester
    • 2-bromoisonicotinic acid ethyl ester
    • 2-bromo-isonicotinic acid ethyl ester
    • PubChem15173
    • 2-BROMOPYRIDINE-4-CARBOXYLICACIDETHYLESTER
    • KSC498A9T
    • SBNQZJXLQLUESH-UHFFFAOYSA-N
    • ethyl 2-bromo-4-pyridinecarboxylate
    • Isonicotinic acid, 2-bromo-, ethyl ester (7CI)
    • 2-Bromo-4-pyridinecarboxylic acid ethyl ester
    • Ethyl 2-bromoisonicotinate, AldrichCPR
    • J-400945
    • AKOS015834212
    • 89978-52-9
    • DTXSID60397266
    • SY021898
    • DB-004034
    • TS-03274
    • CS-W005246
    • MFCD06205252
    • AC-24954
    • 2-Bromo4-pyridinecarboxylic acid ethyl ester
    • SCHEMBL188125
    • MDL: MFCD06205252
    • Inchi: 1S/C8H8BrNO2/c1-2-12-8(11)6-3-4-10-7(9)5-6/h3-5H,2H2,1H3
    • InChI Key: SBNQZJXLQLUESH-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C(Br)N=CC=1)OCC

Computed Properties

  • Exact Mass: 228.97400
  • Monoisotopic Mass: 228.97384g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 163
  • 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
  • XLogP3: 1.9
  • Topological Polar Surface Area: 39.2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.5±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 282.9℃ at 760 mmHg
  • Flash Point: 124.9±21.8 °C
  • Refractive Index: 1.544
  • PSA: 39.19000
  • LogP: 2.02080
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

Ethyl 2-bromoisonicotinate Security Information

Ethyl 2-bromoisonicotinate 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%

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Ethyl 2-bromoisonicotinate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Thionyl chloride Solvents: Ethanol-d ;  0 °C; 0 °C → reflux; overnight, reflux
Reference
Discovery of a new class of JMJD6 inhibitors and structure-activity relationship study
Wang, Tianqi; Zhang, Rong; Liu, Yang ; Fang, Zhen ; Zhang, Hailin; et al, Bioorganic & Medicinal Chemistry Letters, 2021, 44,

Production Method 2

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Ethanol ;  24 h, 90 °C
1.2 Reagents: Potassium carbonate Solvents: Water ;  pH 7
Reference
Synthesis and Characterization of a Series of Bis-homoleptic Cycloruthenates with Terdentate Ligands as a Family of Panchromatic Dyes
Rees, Thomas W.; Liao, Jin Feng; Sinopoli, Alessandro; Male, Louise; Calogero, Giuseppe; et al, Inorganic Chemistry, 2017, 56(16), 9903-9912

Production Method 3

Reaction Conditions
Reference
Design, synthesis and biological evaluation as immunosuppressant of amino alcohol derivatives containing thioether
Li, Yanjie; Li, Yongqiang; Yang, Liu; Liu, Zhi; Zhang, Ruimeng; et al, Materials Express, 2021, 11(5), 773-780

Production Method 4

Reaction Conditions
1.1 Catalysts: Sulfuric acid Solvents: Ethanol ;  3 h, reflux
1.2 Reagents: Sodium bicarbonate Solvents: Water
Reference
Structure-activity relationship studies for the development of inhibitors of murine adipose triglyceride lipase (ATGL)
Mayer, Nicole; Schweiger, Martina; Fuchs, Elisabeth; Migglautsch, Anna K.; Doler, Carina; et al, Bioorganic & Medicinal Chemistry, 2020, 28(16),

Production Method 5

Reaction Conditions
Reference
Synthesis and biological evaluation of 4-carbamoyl-2-β-D-ribofuranosylpyridine
Joos, Pieter E.; Esmans, Eddy L.; Dommisse, Roger A.; Van Dongen, Walter; Lepoivre, Jozef A.; et al, Nucleosides & Nucleotides, 1991, 10(4), 883-94

Ethyl 2-bromoisonicotinate Raw materials

Ethyl 2-bromoisonicotinate Preparation Products

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