ChemicalBook--->CAS DataBase List--->4746-97-8

4746-97-8

4746-97-8 Structure

4746-97-8 Structure
IdentificationMore
[Name]

1,4-Dioxaspiro[4.5]decan-8-one
[CAS]

4746-97-8
[Synonyms]

1,4-CYCLOHEXANEDIONE MONOETHYLENE ACETAL
1,4-CYCLOHEXANEDIONE MONOETHYLENE KETAL
1,4-DIOXASPIRO[4.5]-8-DECANONE
1,4-DIOXASPIRO[4.5]DECAN-8-ONE
CYCLOHEXANEDIONE(1,4-) MONOETHYLENE
Cyclohexane-1,4-dione monoethylene ketal
1,4-Cyclohexanedion monoethylene acetal
1,4-Dioxiro[4.5]decan-8-one.
1,4-Cyclohexanedione ethylene ketal
1,4-CYCLOHEXANEDIONE MONOETHYLENE ACETAL (1,4-DIOXASPIRO(4.5)DECAN-8-ONE)
1,4-Dioxaspiro[4.5]decan-8-one, Cyclohexane-1,4-dione monoethylene ketal
Cyclohexane-1,4-dione monoethylene acetal
KEHK
1,4-Dioxaspiro[4.5]decan-8-one ,99%
1,4-Dioxaspiro[4.5]decane-8-one-
4,4-(Ethylenebisoxy)cyclohexan-1-one
7,10-Dioxaspiro[5.4]decane-3-one
Spiro[cyclohexane-1,2'-1,3-dioxolane]-4-one
1,4-Cyclohexanedione monoethylene acetal (1,4-Dioxaspiro(4 x 5)d
Cyclohexanedione monoethyleneacetal
[EINECS(EC#)]

610-352-2
[Molecular Formula]

C8H12O3
[MDL Number]

MFCD00010214
[Molecular Weight]

156.18
[MOL File]

4746-97-8.mol
Chemical PropertiesBack Directory
[Appearance]

white to beige crystalline powder or crystals
[Melting point ]

70-73 °C (lit.)
[Boiling point ]

112C
[density ]

1.0887 (rough estimate)
[refractive index ]

1.4430 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

Soluble in chloroform & methanol.
[form ]

Crystalline Powder or Crystals
[color ]

White to beige
[Sensitive ]

Moisture Sensitive
[Usage]

Intermediates of Liquid Crystals
[Detection Methods]

GC,NMR
[BRN ]

117631
[InChI]

InChI=1S/C8H12O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1-6H2
[InChIKey]

VKRKCBWIVLSRBJ-UHFFFAOYSA-N
[SMILES]

O1C2(CCC(=O)CC2)OCC1
[CAS DataBase Reference]

4746-97-8(CAS DataBase Reference)
[Storage Precautions]

Store under nitrogen;Moisture sensitive
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

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

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[F ]

8-10-21
[Hazard Note ]

Irritant
[HS Code ]

29329900
Hazard InformationBack Directory
[Chemical Properties]

1,4-Dioxaspiro[4.5]decan-8-one is white to beige crystalline powder or crystals
[Uses]

1,4-Dioxaspiro[4.5]decan-8-one(4746-97-8) is used in the preparation of series of potent analgesic compounds. 1,4-Cyclohexanedione Monoethylene Acetal is also used as a building block in the synthesis of tritium labelled probes for the autoradiography study of the dopamine reuptake complex.
[Uses]

Intermediates of Liquid Crystals
[Application]

1,4-Dioxaspiro[4.5]decan-8-one(4746-97-8) can be used:
(1) Used in a study of microwave-assisted reductive amination.
(2) Via a novel aromatization process, this bicyclic frame can be converted into a series of 5-alkoxytryptamine derivatives including serotonin, melatonin and bufotenin.
[Synthesis]

In a dry Schlenk tube, [Rh(cod)Cl]2 (9.9 mg, 20.0 μmol), (R)-Binap (27.4 mg, 44.0 μmol), and Durum (20.0 mg, internal standard) were dissolved in CH2Cl2 (8.0 mL); then, 2 mmol of the substrate was added to the solution at room temperature under nitrogen.
[Purification Methods]

Recrystallise it from pet ether. It sublimes slowly on attempted distillation. Also purify it by dissolving it in Et2O and adding pet ether (b 60-80o) until turbid and cooling. [Gardner et al. J Am Chem Soc 22 1206 1957, Britten & Lockwood J Chem Soc Perkin Trans 1 1824 1974.] [Beilstein 19/4 V 93.]
Spectrum DetailBack Directory
[Spectrum Detail]

1,4-Dioxaspiro[4.5]decan-8-one(4746-97-8)MS
1,4-Dioxaspiro[4.5]decan-8-one(4746-97-8)1HNMR
1,4-Dioxaspiro[4.5]decan-8-one(4746-97-8)13CNMR
1,4-Dioxaspiro[4.5]decan-8-one(4746-97-8)IR1
1,4-Dioxaspiro[4.5]decan-8-one(4746-97-8)IR2
1,4-Dioxaspiro[4.5]decan-8-one(4746-97-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,4-Dioxaspiro[4.5]decan-8-one, 98%(4746-97-8)
[Alfa Aesar]

1,4-Cyclohexanedione monoethylene acetal, 99%(4746-97-8)
[Sigma Aldrich]

4746-97-8(sigmaaldrich)
[TCI AMERICA]

1,4-Cyclohexanedione Monoethyleneketal,>98.0%(GC)(4746-97-8)
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