Cas no 81223-73-6 (1-(1H-Indol-6-yl)ethanone)

1-(1H-Indol-6-yl)ethanone structure
1-(1H-Indol-6-yl)ethanone structure
Product Name:1-(1H-Indol-6-yl)ethanone
CAS No:81223-73-6
MF:C10H9NO
MW:159.184562444687
MDL:MFCD09035921
CID:830466
PubChem ID:12925070
Update Time:2024-10-27

1-(1H-Indol-6-yl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(1H-Indol-6-yl)ethanone
    • 6-Acetylindole
    • Ethanone, 1-(1H-indol-6-yl)- (9CI)
    • 1-(1H-Indol-6-yl)ethanone (ACI)
    • 1-(1H-Indol-6-yl)ethan-1-one
    • 1-indol-6-yl-ethanone;6-Acetylindole
    • 81223-73-6
    • MVLKLQSCKJWWLP-UHFFFAOYSA-N
    • 6-acetyl indole
    • MFCD09035921
    • 1-(6-Indolyl)ethanone
    • AKOS004118004
    • AB90167
    • SY117243
    • CS-0060852
    • DTXSID70513132
    • DB-075747
    • SCHEMBL121922
    • AS-33203
    • 1-(1H-indol-6-yl)-ethanone
    • Ethanone, 1-(1H-indol-6-yl)-
    • MDL： MFCD09035921
    • Inchi： 1S/C10H9NO/c1-7(12)9-3-2-8-4-5-11-10(8)6-9/h2-6,11H,1H3
    • InChI Key： MVLKLQSCKJWWLP-UHFFFAOYSA-N
    • SMILES： O=C(C)C1C=C2C(C=CN2)=CC=1

Computed Properties

  • Exact Mass: 159.068413911g/mol
  • Monoisotopic Mass: 159.068413911g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 190
  • 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: 2.3
  • Topological Polar Surface Area: 32.9?2

Experimental Properties

  • Density: 1.193±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 122-123 oC (ethyl acetate )
  • Solubility: Very slightly soluble (0.94 g/l) (25 o C),

1-(1H-Indol-6-yl)ethanone Pricemore >>

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1-(1H-Indol-6-yl)ethanone Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Potassium carbonate
2.1 -
Reference
Synthesis of 6-acetyl and 6-benzoylindoles
Kim, Phieo Ta; et al, Journal of Heterocyclic Chemistry, 1981, 18(7), 1365-71

Production Method 2

Reaction Conditions
Reference
Synthesis of water-soluble 4-(3-indolyl)-2,5-dihydro-2-furanones
Baron, Michel; et al, Bulletin de la Societe Chimique de France, 1982, 249, 249-56

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrochloric acid
2.1 Catalysts: Potassium carbonate
3.1 -
Reference
Synthesis of 6-acetyl and 6-benzoylindoles
Kim, Phieo Ta; et al, Journal of Heterocyclic Chemistry, 1981, 18(7), 1365-71

Production Method 4

Reaction Conditions
Reference
Synthesis of water-soluble 4-(3-indolyl)-2,5-dihydro-2-furanones
Baron, Michel; et al, Bulletin de la Societe Chimique de France, 1982, 249, 249-56

Production Method 5

Reaction Conditions
1.1 Reagents: Nitrous acid
2.1 -
3.1 -
4.1 -
Reference
Synthesis of water-soluble 4-(3-indolyl)-2,5-dihydro-2-furanones
Baron, Michel; et al, Bulletin de la Societe Chimique de France, 1982, 249, 249-56

Production Method 6

Reaction Conditions
1.1 -
2.1 -
3.1 Reagents: Hydrochloric acid
4.1 Catalysts: Potassium carbonate
5.1 -
Reference
Synthesis of 6-acetyl and 6-benzoylindoles
Kim, Phieo Ta; et al, Journal of Heterocyclic Chemistry, 1981, 18(7), 1365-71

Production Method 7

Reaction Conditions
1.1 Catalysts: Butyllithium
2.1 -
3.1 -
4.1 Reagents: Hydrochloric acid
5.1 Catalysts: Potassium carbonate
6.1 -
Reference
Synthesis of 6-acetyl and 6-benzoylindoles
Kim, Phieo Ta; et al, Journal of Heterocyclic Chemistry, 1981, 18(7), 1365-71

Production Method 8

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Methanol ,  Water
Reference
Regioselective acylations at the 2 and 6 position of N-acetylindole
Cruz, R. P. A.; et al, Tetrahedron Letters, 2001, 42(8), 1467-1469

Production Method 9

Reaction Conditions
Reference
Synthesis of 6-acetyl and 6-benzoylindoles
Kim, Phieo Ta; et al, Journal of Heterocyclic Chemistry, 1981, 18(7), 1365-71

Production Method 10

Reaction Conditions
Reference
Synthesis of water-soluble 4-(3-indolyl)-2,5-dihydro-2-furanones
Baron, Michel; et al, Bulletin de la Societe Chimique de France, 1982, 249, 249-56

Production Method 11

Reaction Conditions
1.1 Reagents: Aluminum chloride Solvents: Dichloromethane
1.2 -
2.1 Reagents: Sodium hydroxide Solvents: Methanol ,  Water
Reference
Regioselective acylations at the 2 and 6 position of N-acetylindole
Cruz, R. P. A.; et al, Tetrahedron Letters, 2001, 42(8), 1467-1469

Production Method 12

Reaction Conditions
1.1 -
2.1 Reagents: Hydrochloric acid
3.1 Catalysts: Potassium carbonate
4.1 -
Reference
Synthesis of 6-acetyl and 6-benzoylindoles
Kim, Phieo Ta; et al, Journal of Heterocyclic Chemistry, 1981, 18(7), 1365-71

Production Method 13

Reaction Conditions
1.1 Reagents: Water Solvents: Water
2.1 -
3.1 -
4.1 -
Reference
Synthesis of water-soluble 4-(3-indolyl)-2,5-dihydro-2-furanones
Baron, Michel; et al, Bulletin de la Societe Chimique de France, 1982, 249, 249-56

Production Method 14

Reaction Conditions
1.1 -
2.1 Reagents: Nitrous acid
3.1 -
4.1 -
5.1 -
Reference
Synthesis of water-soluble 4-(3-indolyl)-2,5-dihydro-2-furanones
Baron, Michel; et al, Bulletin de la Societe Chimique de France, 1982, 249, 249-56

Production Method 15

Reaction Conditions
1.1 Catalysts: Palladium Solvents: Mesitylene
Reference
Electrophilic substitution of indole on the benzene moiety. A synthesis of 5-acyl- and 5-aroylindoles
Demopoulos, Vassilis J.; et al, Synthesis, 1998, (10), 1519-1522

Production Method 16

Reaction Conditions
1.1 Reagents: Oxalyl chloride Solvents: 1,2-Dichloroethane
1.2 Solvents: 1,2-Dichloroethane
1.3 Reagents: Aluminum chloride
1.4 Solvents: 1,2-Dichloroethane
1.5 Reagents: Sodium hydroxide Solvents: Water
2.1 Catalysts: Palladium Solvents: Mesitylene
Reference
Electrophilic substitution of indole on the benzene moiety. A synthesis of 5-acyl- and 5-aroylindoles
Demopoulos, Vassilis J.; et al, Synthesis, 1998, (10), 1519-1522

1-(1H-Indol-6-yl)ethanone Raw materials

1-(1H-Indol-6-yl)ethanone Preparation Products

1-(1H-Indol-6-yl)ethanone Related Literature

Related Categories

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