Cas no 847818-49-9 (4-bromo-1-(2-methoxyethyl)-1H-pyrazole)

4-bromo-1-(2-methoxyethyl)-1H-pyrazole structure
847818-49-9 structure
Product Name:4-bromo-1-(2-methoxyethyl)-1H-pyrazole
CAS No:847818-49-9
MF:C6H9BrN2O
MW:205.052460432053
MDL:MFCD12405645
CID:2123959
PubChem ID:23247855
Update Time:2024-10-26

4-bromo-1-(2-methoxyethyl)-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 4-bromo-1-(2-methoxyethyl)-1H-pyrazole
    • 4-Bromo-1-(2-methoxyethyl)-1H-pyrazole (ACI)
    • 1-(2-Methoxyethyl)-4-bromo-1H-pyrazole
    • SCHEMBL1139688
    • Z733308464
    • AKOS010258550
    • F8888-1264
    • 4-BROMO-1-(2-METHOXYETHYL)PYRAZOLE
    • AS-63751
    • DTXSID001281813
    • SJIMZWZHTDHXRI-UHFFFAOYSA-N
    • W17404
    • XIB81849
    • EN300-73236
    • 847818-49-9
    • DA-02420
    • MFCD12405645
    • CHEMBL4580967
    • CS-0045062
    • UUV
    • MDL: MFCD12405645
    • Inchi: 1S/C6H9BrN2O/c1-10-3-2-9-5-6(7)4-8-9/h4-5H,2-3H2,1H3
    • InChI Key: SJIMZWZHTDHXRI-UHFFFAOYSA-N
    • SMILES: BrC1=CN(CCOC)N=C1

Computed Properties

  • Exact Mass: 203.99000
  • Monoisotopic Mass: 203.99
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 102
  • 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
  • Topological Polar Surface Area: 27A^2
  • Molecular Weight: 205.05
  • XLogP3: 0.7

Experimental Properties

  • PSA: 27.05000
  • LogP: 1.29200

4-bromo-1-(2-methoxyethyl)-1H-pyrazole Pricemore >>

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4-bromo-1-(2-methoxyethyl)-1H-pyrazole Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Ethanol ;  1.5 h, reflux
Reference
Synthesis of pinacol esters of 1-alkyl-1H-pyrazol-5-yl- and 1-alkyl-1H-pyrazol-4-ylboronic acids
Ivachtchenko, Alexandre V.; Kravchenko, Dmitry V.; Zheludeva, Valentina I.; Pershin, Dmitry G., Journal of Heterocyclic Chemistry, 2004, 41(6), 931-939

4-bromo-1-(2-methoxyethyl)-1H-pyrazole Raw materials

4-bromo-1-(2-methoxyethyl)-1H-pyrazole Preparation Products

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