ChemicalBook--->CAS DataBase List--->6097-08-1

6097-08-1

6097-08-1 Structure

6097-08-1 Structure
IdentificationBack Directory
[Name]

6-PHTHALIMIDO-1-HEXYNE
[CAS]

6097-08-1
[Synonyms]

TIMTEC-BB SBB008977
6-PHTHALIMIDO-1-HEXYNE
N-HEX-5-YNYLPHTHALIMIDE
N-(5-HEXYNYL)PHTHALIMIDE
N-(5-Hexynyl)phthalimide >=95%
2-(hex-5-ynyl)isoindoline-1,3-dione
2-(Hex-5-yn-1-yl)isoindoline-1,3-dione
1H-Isoindole-1,3(2H)-dione, 2-(5-hexyn-1-yl)-
6-Phthalimido-1-hexyne, N-Hex-5-ynylphthalimide
N-(5-HEXYNYL)PHTHALIMIDE, 97%N-(5-HEXYNYL)PHTHALIMIDE, 97%N-(5-HEXYNYL)PHTHALIMIDE, 97%N-(5-HEXYNYL)PHTHALIMIDE, 97%
[Molecular Formula]

C14H13NO2
[MDL Number]

MFCD00671372
[MOL File]

6097-08-1.mol
[Molecular Weight]

227.26
Chemical PropertiesBack Directory
[Melting point ]

68-72 °C(lit.)
[Boiling point ]

360.2±25.0 °C(Predicted)
[density ]

1.196±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C, stored under nitrogen
[pka]

-2.14±0.20(Predicted)
[Appearance]

White to off-white Solid
[InChI]

1S/C14H13NO2/c1-2-3-4-7-10-15-13(16)11-8-5-6-9-12(11)14(15)17/h1,5-6,8-9H,3-4,7,10H2
[InChIKey]

WALVSJIWVWDFCU-UHFFFAOYSA-N
[SMILES]

O=C1N(CCCCC#C)C(=O)c2ccccc12
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Uses]

6-amino-1-hexyne was prepared from N-(5-Hexynyl)phthalimide which is the starting material. Used in the synthesis of Amino-alkyne.
[Uses]

Reactant for:
  • TBAF-catalyzed monoreduction
  • Ruthenium-catalyzed hydrative conjugative addition to alkenes
  • Regioselective nickel-catalyzed carbocyanation reactions
  • Zinc-catalyzed intermolecular hydroaminations
  • Copper catalyzed cycloaddition with azides
[General Description]

N-(5-Hexynyl)phthalimide is an N-alkyl substituted phthalimide derivative.
Spectrum DetailBack Directory
[Spectrum Detail]

6-PHTHALIMIDO-1-HEXYNE(6097-08-1)1HNMR
6-PHTHALIMIDO-1-HEXYNE(6097-08-1)IR
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