Cas no 89324-44-7 (5-Formylthiophene-3-carboxylic acid)

5-Formylthiophene-3-carboxylic acid structure
89324-44-7 structure
Product Name:5-Formylthiophene-3-carboxylic acid
CAS No:89324-44-7
MF:C6H4O3S
MW:156.159160614014
MDL:MFCD01859867
CID:1088681
PubChem ID:818883
Update Time:2024-10-26

5-Formylthiophene-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Formylthiophene-3-carboxylic acid
    • 5-Formyl-3-thiophenecarboxylic acid
    • 5-Formyl-3-thiophenecarboxylic acid (ACI)
    • DTXSID50355996
    • 5-formylthiophene-3-carboxylicacid
    • 3-Thiophenecarboxylic acid, 5-formyl-
    • AT16777
    • XH1320
    • 5-formyl-3-thiophene carboxylic acid
    • MFCD01859867
    • EN300-103857
    • DB-368720
    • 5-formyl-thiophene-3-carboxylic acid
    • SCHEMBL1471364
    • 89324-44-7
    • Z1198158838
    • AI-942/25034148
    • SY139819
    • 2-formyl-4-thiophenecarboxylic acid
    • 5-formylthiophene-3-carboxylic acid, AldrichCPR
    • CS-0372656
    • AKOS006275973
    • DZWLJMCEXWXWRY-UHFFFAOYSA-N
    • MDL: MFCD01859867
    • Inchi: 1S/C6H4O3S/c7-2-5-1-4(3-10-5)6(8)9/h1-3H,(H,8,9)
    • InChI Key: DZWLJMCEXWXWRY-UHFFFAOYSA-N
    • SMILES: O=CC1=CC(C(O)=O)=CS1

Computed Properties

  • Exact Mass: 155.98811516g/mol
  • Monoisotopic Mass: 155.98811516g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 157
  • 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: 0.9
  • Topological Polar Surface Area: 82.6?2

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 371.4±27.0 °C at 760 mmHg
  • Flash Point: 178.4±23.7 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

5-Formylthiophene-3-carboxylic acid Security Information

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5-Formylthiophene-3-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Butyllithium ,  N,N,N′,N′-Tetramethylethylenediamine Solvents: Tetrahydrofuran ,  Hexane ;  -78 °C; 2 h, -78 °C
1.2 1 h, -78 °C; overnight, rt
1.3 Reagents: Sulfuric acid Solvents: Water ;  3 h, rt
Reference
Enantioselective Rhodium-Catalyzed Dimerization of ω-Allenyl Carboxylic Acids: Straightforward Synthesis of C2-Symmetric Macrodiolides
Steib, Philip; Breit, Bernhard, Angewandte Chemie, 2018, 57(22), 6572-6576

Production Method 2

Reaction Conditions
1.1 Reagents: Water Solvents: Water
Reference
Synthesis and properties of cyanoformylthiophenes and -selenophenes
Dubus, Pierre; Decroix, Bernard; Morel, Jean; Pastour, Paul, Bulletin de la Societe Chimique de France, 1976, 628, 628-34

5-Formylthiophene-3-carboxylic acid Raw materials

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