ChemicalBook--->CAS DataBase List--->700-58-3

700-58-3

700-58-3 Structure

700-58-3 Structure
IdentificationMore
[Name]

2-Adamantanone
[CAS]

700-58-3
[Synonyms]

2-ADAMANTANONE
2-ADAMANTONE
ADAMANTAN-2-ONE
ADAMANTANONE, 2-
AKOS BC-0654
LABOTEST-BB LT00239630
OTAVA-BB BB0110864325
tricyclo[3.3.1.1(3,7)]decane-2-one
TRICYCLO[3,3,1,1(3,7)]DECANONE
2-Oxoadamantane
Adamantanone
tricyclo(3.3.1.1(sup3,7))decanone
tricyclo[3.3.1.13,7]decan-2-one
2-ADAMANTANONE, SUBLIMED, 99+%
2-Ketoadamantane
Adamantan-2-one 98%
Adamantan-10-one
Adamantan-9-one
Tricyclo[3.3.1.13,7]decane-10-one
2-adamandanone
[EINECS(EC#)]

211-847-2
[Molecular Formula]

C10H14O
[MDL Number]

MFCD00074737
[Molecular Weight]

150.22
[MOL File]

700-58-3.mol
Chemical PropertiesBack Directory
[Appearance]

white to off-white crystalline powder
[Melting point ]

256-258 °C (subl.)(lit.)
[Boiling point ]

211.78°C (rough estimate)
[density ]

0.8709 (rough estimate)
[refractive index ]

1.4993 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

methanol: 0.1 g/mL, clear
[form ]

Crystalline Powder
[color ]

White to off-white
[BRN ]

1210235
[InChI]

InChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2
[InChIKey]

IYKFYARMMIESOX-UHFFFAOYSA-N
[SMILES]

C12CC3CC(CC(C3)C1=O)C2
[CAS DataBase Reference]

700-58-3(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Adamantanone(700-58-3)
Questions And AnswerBack Directory
[Uses]

2-Adamantanone has been used as a probe for the dimensions and characteristics for the substrate binding pocket of alcohol dehydrogenases.
[synthesis]

Dissolve the alcohol (0.25 mmol) in acetonitrile (3 mL). Add oxidant 1,3-dichloro-5,5-dimethylhydantoin (DCH, 0.148 g, 0.75 mmol) to the reaction mixture. Add the pre-catalyst MWCNT-{(CH2)3-CO- NH-TEMPO}n (0.075 g) to the reaction mixture. Sonic the resulting suspension (1 min.) using an ultrasonic bath. Stir the reaction mixture. Heat the reaction mixture at 50 °C for 30 minutes. Filter the reaction mixture. Add CH2Cl2 (10 mL) to the reaction mixture. Wash the organic phase with aqueous Na2S2O3 (10 %, 10 mL) and H2O (10 mL x 2). Dry the residue with Na2SO4. Remove the solvent under reduced pressure using a rotary evaporator to obtain the product.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H402
[Precautionary statements ]

P273-P501
[Hazard Codes ]

Xi
[Risk Statements ]

R52:Harmful to aquatic organisms.
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:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

2
[RTECS ]

AU5018000
[Hazard Note ]

Irritant
[HS Code ]

29142900
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3,3-Dimethyl-2-oxobutyric acid
[Preparation Products]

2-Ethyl-2-adamantanol-->2-Methyl-2-adamantanol-->5-Hydroxyadamantan-2-one-->2-Adamantanol-->2-Isopropyl-2-adamantanol
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Adamantanone(700-58-3).msds
Hazard InformationBack Directory
[Chemical Properties]

white to off-white crystalline powder
[Definition]

ChEBI: Adamantanone is a member of adamantanones.
[General Description]

2-Adamantanone on deprotonation in the gas phase affords the corresponding β-enolate anion. It reacts with 1,1-dilithio-1-sila-2,3,4,5-tetraphenylsilole to yield 5-silafulvene.
[Purification Methods]

Purify 2-admantanone by repeated sublimation in vacuo. [Butler et al. J Chem Soc, Faraday Trans II 82 535 1986.]
Spectrum DetailBack Directory
[Spectrum Detail]

2-Adamantanone(700-58-3)MS
2-Adamantanone(700-58-3)1HNMR
2-Adamantanone(700-58-3)13CNMR
2-Adamantanone(700-58-3)IR1
2-Adamantanone(700-58-3)IR2
2-Adamantanone(700-58-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Adamantanone, 98%(700-58-3)
[Alfa Aesar]

2-Adamantanone, 98%(700-58-3)
[Sigma Aldrich]

700-58-3(sigmaaldrich)
[TCI AMERICA]

2-Adamantanone,>98.0%(GC)(700-58-3)
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