Cas no 786654-97-5 (2-(3-Bromo-phenyl)-thiazole-4-carboxylic acid ethyl ester)

2-(3-Bromo-phenyl)-thiazole-4-carboxylic acid ethyl ester is a brominated thiazole derivative with applications in organic synthesis and pharmaceutical research. The compound features a thiazole core functionalized with a 3-bromophenyl group at the 2-position and an ethyl ester moiety at the 4-position, offering versatility as a building block for further derivatization. The bromine substituent enhances reactivity for cross-coupling reactions, such as Suzuki or Heck couplings, while the ethyl ester group provides a handle for hydrolysis or transesterification. This compound is particularly useful in medicinal chemistry for the development of heterocyclic scaffolds with potential biological activity. Its well-defined structure and synthetic utility make it a valuable intermediate in targeted molecular design.
2-(3-Bromo-phenyl)-thiazole-4-carboxylic acid ethyl ester structure
786654-97-5 structure
Product Name:2-(3-Bromo-phenyl)-thiazole-4-carboxylic acid ethyl ester
CAS No:786654-97-5
MF:C12H10BrNO2S
MW:312.182301044464
MDL:MFCD06738338
CID:554661
PubChem ID:46738277
Update Time:2025-06-07

2-(3-Bromo-phenyl)-thiazole-4-carboxylic acid ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-(3-bromophenyl)thiazole-4-carboxylate
    • 2-(3-BROMO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
    • 2-(3-BROMOPHENYL)THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
    • 4-Thiazolecarboxylicacid, 2-(3-bromophenyl)-, ethyl ester
    • ethyl 2-(3-bromophenyl)-1,3-thiazole-4-carboxylate
    • BL000402
    • MFCD06738338
    • CS-0340916
    • DTXSID70674292
    • 786654-97-5
    • J-520599
    • SCHEMBL4726197
    • Ethyl2-(3-bromophenyl)thiazole-4-carboxylate
    • FT-0702054
    • AS-45739
    • DXNNRQNTJYNOPB-UHFFFAOYSA-N
    • AKOS016003369
    • A864993
    • 2-(3-bromo-phenyl)-thiazole-4-carboxylic acid ethyl ester, AldrichCPR
    • AB26931
    • DB-075504
    • SY065281
    • 2-(3-Bromo-phenyl)-thiazole-4-carboxylic acid ethyl ester
    • MDL： MFCD06738338
    • Inchi： 1S/C12H10BrNO2S/c1-2-16-12(15)10-7-17-11(14-10)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3
    • InChI Key： DXNNRQNTJYNOPB-UHFFFAOYSA-N
    • SMILES： BrC1=CC=CC(=C1)C1=NC(C(=O)OCC)=CS1

Computed Properties

  • Exact Mass: 310.96200
  • Monoisotopic Mass: 310.962
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 277
  • 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: 3.9
  • Topological Polar Surface Area: 67.4A^2

Experimental Properties

  • Density: 1.5
  • Boiling Point: 415.2°C at 760 mmHg
  • Flash Point: 204.9°C
  • Refractive Index: 1.602
  • PSA: 67.43000
  • LogP: 3.74930
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

2-(3-Bromo-phenyl)-thiazole-4-carboxylic acid ethyl ester Security Information

2-(3-Bromo-phenyl)-thiazole-4-carboxylic acid ethyl ester Customs Data

  • HS CODE：2934100090
  • Customs Data：

    China Customs Code:

    2934100090

    Overview:

    2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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2-(3-Bromo-phenyl)-thiazole-4-carboxylic acid ethyl ester Production Method

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