Cas no 83553-48-4 (5-Thiazolecarboxylic acid, 2-iodo-, ethyl ester)

5-Thiazolecarboxylic acid, 2-iodo-, ethyl ester structure
83553-48-4 structure
Product Name:5-Thiazolecarboxylic acid, 2-iodo-, ethyl ester
CAS No:83553-48-4
MF:C6H6INO2S
MW:283.086812496185
CID:1808707
PubChem ID:10540909
Update Time:2025-04-21

5-Thiazolecarboxylic acid, 2-iodo-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 5-Thiazolecarboxylic acid, 2-iodo-, ethyl ester
    • 2-iodo-5-Thiazolecarboxylic acid ethyl ester
    • 5-ethoxycarbonyl-2-iodothiazole
    • ethyl 2-iodo-5-thiazolecarboxylate
    • DTXSID501244220
    • DB-365137
    • Ethyl 2-iodo-1,3-thiazole-5-carboxylate
    • SCHEMBL3332696
    • 83553-48-4
    • Inchi: 1S/C6H6INO2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3
    • InChI Key: CXNFPQGKOVTFER-UHFFFAOYSA-N
    • SMILES: IC1=NC=C(C(=O)OCC)S1

Computed Properties

  • Exact Mass: 282.91600
  • Monoisotopic Mass: 282.91640g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 156
  • 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: 2.2
  • Topological Polar Surface Area: 67.4?2

Experimental Properties

  • PSA: 67.43000
  • LogP: 1.92440

5-Thiazolecarboxylic acid, 2-iodo-, ethyl ester Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Diethyl ether ,  Hexane ;  30 min, -78 °C
1.2 30 min, -78 °C; 30 min, rt; rt → -78 °C
1.3 Reagents: Iodine Solvents: Tetrahydrofuran ;  -78 °C → rt; 15 h, rt; rt → -78 °C
1.4 Reagents: Sodium thiosulfate Solvents: Water
Reference
Tandem photoarylation-photoisomerization of halothiazoles: synthesis, photophysical and singlet oxygen activation properties of ethyl 2-arylthiazole-5-carboxylates
Amati, Mario; et al, European Journal of Organic Chemistry, 2010, (18), 3416-3427

5-Thiazolecarboxylic acid, 2-iodo-, ethyl ester Raw materials

5-Thiazolecarboxylic acid, 2-iodo-, ethyl ester Preparation Products

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