Cas no 863118-41-6 (Methyl 6-(trifluoromethyl)-1-benzothiophene-2-carboxylate)

Methyl 6-(trifluoromethyl)-1-benzothiophene-2-carboxylate structure
863118-41-6 structure
Product Name:Methyl 6-(trifluoromethyl)-1-benzothiophene-2-carboxylate
CAS No:863118-41-6
MF:C11H7F3O2S
MW:260.232292413712
MDL:MFCD07371545
CID:1068959
PubChem ID:18526202
Update Time:2024-10-26

Methyl 6-(trifluoromethyl)-1-benzothiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 6-(trifluoromethyl)-1-benzothiophene-2-carboxylate
    • methyl 6-(trifluoromethyl)benzo[b]thiophene-2-carboxylate
    • 6-Trifluoromethyl-benzo[b]thiophene-2-carboxylic acid methyl ester
    • 863118-41-6
    • DTXSID30594801
    • GA-0941
    • methyl 6-(trifluoromethyl)benzo[b]thiophene-2carboxylate
    • SY343268
    • CS-0315526
    • Methyl6-(trifluoromethyl)benzo[b]thiophene-2-carboxylate
    • MFCD07371545
    • SB39134
    • AKOS005072562
    • 6-(Trifluoromethyl)benzo[b]thiophene-2-carboxylic acid methyl ester
    • methyl-6-(trifluoromethyl)benzo[b]thiophene-2-carboxylate
    • SCHEMBL4654119
    • J-522520
    • Methyl 6-(Trifluoromethyl)benzothiophene-2-carboxylate
    • MDL： MFCD07371545
    • Inchi： 1S/C11H7F3O2S/c1-16-10(15)9-4-6-2-3-7(11(12,13)14)5-8(6)17-9/h2-5H,1H3
    • InChI Key： QHWPUCBUPABCRG-UHFFFAOYSA-N
    • SMILES： O=C(C1=CC2C(=CC(C(F)(F)F)=CC=2)S1)OC

Computed Properties

  • Exact Mass: 260.01188512g/mol
  • Monoisotopic Mass: 260.01188512g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 306
  • 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: 4
  • Topological Polar Surface Area: 54.5?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Melting Point: 105-107°
  • Boiling Point: 312.4±37.0 °C at 760 mmHg
  • Flash Point: 142.7±26.5 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

Methyl 6-(trifluoromethyl)-1-benzothiophene-2-carboxylate Security Information

Methyl 6-(trifluoromethyl)-1-benzothiophene-2-carboxylate Pricemore >>

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Methyl 6-(trifluoromethyl)-1-benzothiophene-2-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Dimethyl sulfoxide ;  2 h, 80 °C
Reference
Discovery of a New Series of Potent and Selective Linear Tachykinin NK2 Receptor Antagonists
Fedi, Valentina; et al, Journal of Medicinal Chemistry, 2007, 50(20), 4793-4807

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  60 °C
Reference
Design, synthesis, and biological activity evaluation of 2-(benzo[b]thiophen-2-yl)-4-phenyl-4,5-dihydrooxazole derivatives as broad-spectrum antifungal agents
Zhao, Liyu; et al, European Journal of Medicinal Chemistry, 2022, 228,

Methyl 6-(trifluoromethyl)-1-benzothiophene-2-carboxylate Raw materials

Methyl 6-(trifluoromethyl)-1-benzothiophene-2-carboxylate Preparation Products

Methyl 6-(trifluoromethyl)-1-benzothiophene-2-carboxylate Related Literature

863118-41-6 (Methyl 6-(trifluoromethyl)-1-benzothiophene-2-carboxylate) Related Products

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