Cas no 933746-81-7 (6-Fluoro-1H-indole-2-carbaldehyde)

6-Fluoro-1H-indole-2-carbaldehyde structure
933746-81-7 structure
Product Name:6-Fluoro-1H-indole-2-carbaldehyde
CAS No:933746-81-7
MF:C9H6FNO
MW:163.148445606232
MDL:MFCD11040760
CID:1038568
PubChem ID:53427730
Update Time:2024-10-26

6-Fluoro-1H-indole-2-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 6-Fluoro-1H-indole-2-carbaldehyde
    • 6-Fluoro-1H-indole-2-carboxaldehyde (ACI)
    • EN300-178396
    • 933746-81-7
    • CS-0131061
    • AKOS006306295
    • Z1198305780
    • DTXSID70699627
    • NS-01288
    • SCHEMBL2548885
    • E81533
    • MFCD11040760
    • MDL: MFCD11040760
    • Inchi: 1S/C9H6FNO/c10-7-2-1-6-3-8(5-12)11-9(6)4-7/h1-5,11H
    • InChI Key: PZFGWBJNOHHZDK-UHFFFAOYSA-N
    • SMILES: O=CC1NC2C(=CC=C(C=2)F)C=1

Computed Properties

  • Exact Mass: 163.043341977g/mol
  • Monoisotopic Mass: 163.043341977g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 185
  • 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: 1.9
  • Topological Polar Surface Area: 32.9?2

Experimental Properties

  • Boiling Point: 342.4±22.0℃ at 760 mmHg

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6-Fluoro-1H-indole-2-carbaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  12 h, rt
Reference
Preparation of heterocyclic compds as PAD inhibitors
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ;  0 °C; 0 °C → 25 °C; 3 h, 25 °C; 25 °C → 0 °C
1.2 Reagents: Ammonium chloride Solvents: Water ;  0 °C
1.3 Reagents: Dipyridinium dichromate Solvents: Dichloromethane ;  12 h, 25 °C
Reference
Amide-Amine Replacement in Indole-2-carboxamides Yields Potent Mycobactericidal Agents with Improved Water Solubility
Tan, Yu Jia; Li, Ming; Gunawan, Gregory Adrian; Nyantakyi, Samuel Agyei; Dick, Thomas; et al, ACS Medicinal Chemistry Letters, 2021, 12(5), 704-712

Production Method 3

Reaction Conditions
1.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ;  23 h, rt
Reference
Preparation of 2-indoleacrylamide derivatives as TRPV1 receptor function regulators
, Japan, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Manganese oxide (MnO2) Solvents: Dimethylformamide ;  12 h, rt
Reference
Concise synthesis of carbazole-1,4-quinones and evaluation of their antiproliferative activity against HCT-116 and HL-60 cells
Nishiyama, Takashi; Hatae, Noriyuki; Yoshimura, Teruki; Takaki, Sawa; Abe, Takumi ; et al, European Journal of Medicinal Chemistry, 2016, 121, 561-577

Production Method 5

Reaction Conditions
1.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  12 h, rt
Reference
Preparation of imidazo-pyridine compounds as PAD inhibitors
, India, , ,

Production Method 6

Reaction Conditions
1.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ;  rt
Reference
Addition of a Carbene Catalyst to Indole Aryl Aldehyde Activates a Remote δ-sp2 Carbon for Protonation and Formal [4+2] Reaction
, China, , ,

6-Fluoro-1H-indole-2-carbaldehyde Raw materials

6-Fluoro-1H-indole-2-carbaldehyde Preparation Products

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