Cas no 918164-43-9 (methyl 2,4-dibromothiazole-5-carboxylate)

methyl 2,4-dibromothiazole-5-carboxylate structure
918164-43-9 structure
Product Name:methyl 2,4-dibromothiazole-5-carboxylate
CAS No:918164-43-9
MF:C5H3Br2NO2S
MW:300.955818414688
CID:778779
PubChem ID:46311119
Update Time:2024-10-26

methyl 2,4-dibromothiazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 5-Thiazolecarboxylic acid, 2,4-dibromo-, methyl ester
    • METHYL 2,4-DIBROMO-1,3-THIAZOLE-5-CARBOXYLATE
    • 2,4-Dibromothiazole-5-carboxylic acid methyl ester
    • Methyl 2,4-dibromothiazole-5-carboxylate
    • Methyl2,4-dibromothiazole-5-carboxylate
    • DTXSID20673210
    • methyl 2,4-dibromo-5-thiazole-carboxylate
    • 2,4-Dibromo-thiazole-5-carboxylic acid methyl ester
    • CS-0343052
    • DB-255184
    • 918164-43-9
    • XPJHUKSRFWDDHN-UHFFFAOYSA-N
    • F17825
    • SCHEMBL622999
    • methyl 2,4-dibromothiazole-5-carboxylate
    • Inchi: 1S/C5H3Br2NO2S/c1-10-4(9)2-3(6)8-5(7)11-2/h1H3
    • InChI Key: XPJHUKSRFWDDHN-UHFFFAOYSA-N
    • SMILES: O=C(C1=C(Br)N=C(Br)S1)OC

Computed Properties

  • Exact Mass: 300.82308g/mol
  • Monoisotopic Mass: 298.82512g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 169
  • 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: 3.2
  • Topological Polar Surface Area: 67.4?2

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methyl 2,4-dibromothiazole-5-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Methanol ,  Water ;  4 h, 80 °C
1.2 Reagents: Sodium hydroxide Solvents: Water ;  neutralized
Reference
Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARβ/δ agonists
Pereira, Raquel; Furst, Audrey; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; et al, Organic & Biomolecular Chemistry, 2006, 4(24), 4514-4525

methyl 2,4-dibromothiazole-5-carboxylate Raw materials

methyl 2,4-dibromothiazole-5-carboxylate Preparation Products

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