ChemicalBook--->CAS DataBase List--->36556-06-6

36556-06-6

36556-06-6 Structure

36556-06-6 Structure
IdentificationMore
[Name]

5,6,7,8-TETRAHYDROISOQUINOLINE
[CAS]

36556-06-6
[Synonyms]

3,4-CYCLOHEXENOPYRIDINE
5,6,7,8-TETRAHYDROISOQUINOLINE
5,6,7,8-TETRAHYDROISOQUINOLINE 98+%
[EINECS(EC#)]

253-098-4
[Molecular Formula]

C9H11N
[MDL Number]

MFCD00012168
[Molecular Weight]

133.19
[MOL File]

36556-06-6.mol
Chemical PropertiesBack Directory
[Melting point ]

146.5°C
[Boiling point ]

106-108 °C13 mm Hg(lit.)
[density ]

1.03 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.545(lit.)
[Fp ]

212 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

Liquid
[pka]

6.37±0.20(Predicted)
[color ]

Clear pale yellow
[InChI]

InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h5-7H,1-4H2
[InChIKey]

HTMGQIXFZMZZKD-UHFFFAOYSA-N
[SMILES]

C1C2=C(CCCC2)C=CN=1
[CAS DataBase Reference]

36556-06-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[HS Code ]

29334900
Hazard InformationBack Directory
[Uses]

5,6,7,8-Tetrahydroisoquinoline was used in total synthesis of (±)-desoxycodeine-D. It was also used in the synthesis of 7,8-dihydroisoquinolin-5(6H)-one.
[Synthesis Reference(s)]

Tetrahedron, 39, p. 2869, 1983 DOI: 10.1016/S0040-4020(01)92154-4
[General Description]

Reduction of 5,6,7,8-tetrahydroisoquinoline with sodium in ethanol gives trans-decahydroquinolines. 5,6,7,8-Tetrahydroisoquinoline is also referred as Bz-tetrahydroisoquinoline.
Spectrum DetailBack Directory
[Spectrum Detail]

5,6,7,8-TETRAHYDROISOQUINOLINE(36556-06-6)1HNMR
5,6,7,8-TETRAHYDROISOQUINOLINE(36556-06-6)FT-IR
5,6,7,8-TETRAHYDROISOQUINOLINE(36556-06-6)IR
5,6,7,8-TETRAHYDROISOQUINOLINE(36556-06-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

36556-06-6(sigmaaldrich)
[TCI AMERICA]

5,6,7,8-Tetrahydroisoquinoline,>98.0%(GC)(36556-06-6)
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