Cas no 885465-97-4 (3-(1,3-thiazol-2-yl)benzaldehyde)

3-(1,3-thiazol-2-yl)benzaldehyde structure
885465-97-4 structure
Product Name:3-(1,3-thiazol-2-yl)benzaldehyde
CAS No:885465-97-4
MF:C10H7NOS
MW:189.233680963516
MDL:MFCD06797781
CID:711913
PubChem ID:18525725
Update Time:2024-12-09

3-(1,3-thiazol-2-yl)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 3-Thiazol-2-yl-benzaldehyde
    • Benzaldehyde,3-(2-thiazolyl)-
    • 3-(1,3-Thiazol-2-yl)benzaldehyde
    • 3-(thiazol-2-yl)benzaldehyde
    • Benzaldehyde, 3-(2-thiazolyl)-
    • YJMGIEKCDQXKKZ-UHFFFAOYSA-N
    • SBB090976
    • FCH833055
    • EN001822
    • AX8159493
    • W9105
    • ST24028621
    • 3-(1,3-Thiazol-2-yl)benzaldehyde AldrichCPR
    • 3-(1,3-Thiazol-2-yl)benzaldehyde, AldrichCPR
    • 3-(2-Thiazolyl)benzaldehyde (ACI)
    • 3-(1,3-Thiazol-2-yl)benzaldehyde, 97%
    • AKOS005213669
    • CS-0156933
    • DB-001852
    • DS-10210
    • 3-thiazol-2-ylbenzaldehyde
    • J-510415
    • SCHEMBL4541318
    • EN300-378022
    • DTXSID70594486
    • 885465-97-4
    • 3-(1,3-thiazol-2-yl)benzaldehyde
    • MDL： MFCD06797781
    • Inchi： 1S/C10H7NOS/c12-7-8-2-1-3-9(6-8)10-11-4-5-13-10/h1-7H
    • InChI Key： YJMGIEKCDQXKKZ-UHFFFAOYSA-N
    • SMILES： O=CC1C=C(C2SC=CN=2)C=CC=1

Computed Properties

  • Exact Mass: 189.02500
  • Monoisotopic Mass: 189.025
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 186
  • 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: 58.2
  • XLogP3: 2.1

Experimental Properties

  • Density: 1.269
  • Boiling Point: 355.8°C at 760 mmHg
  • Flash Point: 168.999°C
  • Refractive Index: 1.645
  • PSA: 58.20000
  • LogP: 2.62260

3-(1,3-thiazol-2-yl)benzaldehyde Security Information

  • Signal Word：Warning
  • Hazard Statement： H302-H319
  • Warning Statement： P305+P351+P338
  • Hazard Category Code： 22-36
  • Safety Instruction： 26
  • Hazardous Material Identification： Xn
  • Storage Condition：Inert atmosphere,2-8°C

3-(1,3-thiazol-2-yl)benzaldehyde 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%

3-(1,3-thiazol-2-yl)benzaldehyde Pricemore >>

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3-(1,3-thiazol-2-yl)benzaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Tetrahydrofuran ;  overnight, 80 °C
Reference
The synthesis and SAR study of phenylalanine-derived (Z)-5-arylmethylidene rhodanines as anti-methicillin-resistant Staphylococcus aureus (MRSA) compounds
Patel, Bhargav A.; Ashby, Charles R.; Hardej, Diane; Talele, Tanaji T., Bioorganic & Medicinal Chemistry Letters, 2013, 23(20), 5523-5527

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Ethanol ,  Toluene ,  Water ;  12 h, 80 °C
Reference
Maximizing Diversity from a Kinase Screen: Identification of Novel and Selective pan-Trk Inhibitors for Chronic Pain
Stachel, Shawn J.; Sanders, John M.; Henze, Darrell A.; Rudd, Mike T.; Su, Hua-Poo; et al, Journal of Medicinal Chemistry, 2014, 57(13), 5800-5816

3-(1,3-thiazol-2-yl)benzaldehyde Raw materials

3-(1,3-thiazol-2-yl)benzaldehyde Preparation Products

3-(1,3-thiazol-2-yl)benzaldehyde Related Literature

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