Cas no 81449-93-6 (Ethyl 2-chlorothiazole-5-carboxylate)

Ethyl 2-chlorothiazole-5-carboxylate structure
81449-93-6 structure
Product Name:Ethyl 2-chlorothiazole-5-carboxylate
CAS No:81449-93-6
MF:C6H6ClNO2S
MW:191.635339260101
MDL:MFCD08703267
CID:60338
PubChem ID:19017727
Update Time:2024-10-27

Ethyl 2-chlorothiazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-chlorothiazole-5-carboxylate
    • ethyl 2-chloro-1,3-thiazole-5-carboxylate
    • J-520741
    • DTXSID90597419
    • AC-7540
    • 2-CHLORO-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
    • SY007665
    • ethyl 2-chlorothiazole-5-formate
    • FT-0650278
    • CL2507
    • Ethyl 2-chloro-5-thiazolecarboxylate
    • 5-THIAZOLECARBOXYLIC ACID, 2-CHLORO-, ETHYL ESTER
    • EN300-214830
    • IZIJOEOJKFKHQR-UHFFFAOYSA-N
    • FS-2772
    • 81449-93-6
    • MFCD08703267
    • Ethyl2-chloro-5-thiazolecarboxylate
    • AKOS006288561
    • CS-W022658
    • AB48458
    • A9992
    • SCHEMBL285761
    • AM20100794
    • DB-000700
    • MDL: MFCD08703267
    • Inchi: 1S/C6H6ClNO2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3
    • InChI Key: IZIJOEOJKFKHQR-UHFFFAOYSA-N
    • SMILES: O=C(C1=CN=C(Cl)S1)OCC

Computed Properties

  • Exact Mass: 190.98100
  • Monoisotopic Mass: 190.981
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • 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
  • Topological Polar Surface Area: 67.4A^2
  • XLogP3: 2.5

Experimental Properties

  • Color/Form: Colorless to Yellow Solid
  • Density: 1.383
  • Boiling Point: 283.9°C at 760 mmHg
  • Flash Point: 283.9 °C at 760 mmHg
  • Refractive Index: 1.548
  • PSA: 67.43000
  • LogP: 1.97320

Ethyl 2-chlorothiazole-5-carboxylate Security Information

Ethyl 2-chlorothiazole-5-carboxylate Pricemore >>

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Ethyl 2-chlorothiazole-5-carboxylate 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

Ethyl 2-chlorothiazole-5-carboxylate Raw materials

Ethyl 2-chlorothiazole-5-carboxylate Preparation Products

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