Shipping to United States We Offer Worldwide Shipping
Login Wishlist

2-Adamantanone

$52

  • Brand : BIOFRON

  • Catalogue Number : BD-P0686

  • Specification : 98.0%(GC)

  • CAS number : 700-58-3

  • PUBCHEM ID : 64151

  • Volume : 100mg

Available on backorder

Quantity
Checkout Bulk Order?

Catalogue Number

BD-P0686

Analysis Method

HPLC,NMR,MS

Specification

98.0%(GC)

Storage

2-8°C

Molecular Weight

Appearance

White crystal

Botanical Source

Structure Type

Aliphatic Compounds

Category

Standards;Natural Pytochemical;API

SMILES

C1C2CC3CC1CC(C2)C3=O

Synonyms

2-Adamantanone/Tricyclo[3.3.1.1(3,7)]decanone/2-Adamantone/2-Oxoadamantane/adamantan-2-one/Tricyclo(3,3,1,13,7)decanone/Tricyclo[3.3.1.1]decan-2-on/4,6-Dehydroadamantanone/adamantanone/Tricyclo[3.3.1.1]decan-2-one/57725

IUPAC Name

adamantan-2-one

Applications

Density

1.1±0.1 g/cm3

Solubility

Chloroform; Ethyl Acetate

Flash Point

95.7±10.7 °C

Boiling Point

246.7±8.0 °C at 760 mmHg

Melting Point

256-258 °C (subl.)(lit.)

InChl

InChl Key

WGK Germany

RID/ADR

HS Code Reference

2914290000

Personal Projective Equipment

Correct Usage

For Reference Standard and R&D, Not for Human Use Directly.

Meta Tag

provides coniferyl ferulate(CAS#:700-58-3) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of coniferyl ferulate are included as well.>> amp version: coniferyl ferulate

No Technical Documents Available For This Product.

PMID

26073682

Abstract

The heat capacity and thermal conductivity of the monoclinic and the fully ordered orthorhombic phases of 2-adamantanone (C10H14O) have been measured for temperatures between 2 and 150 K. The heat capacities for both phases are shown to be strikingly close regardless of the site disorder present in the monoclinic crystal which arises from the occupancy of three nonequivalent sites for the oxygen atom. The heat capacity curves are also well accounted for by an evaluation carried out within the harmonic approximation in terms of the g(ω) vibrational frequency distributions measured by means of inelastic neutron scattering. Such spectral functions show however a significant excess of low frequency modes for the crystal showing statistical disorder. In contrast, large differences are found for the thermal conductivity which contrary to what could be expected, shows the substitutionally disordered crystal to exhibit better heat transport properties than the fully ordered orthorhombic phase. Such an anomalous behavior is understood from examination of the crystalline structure of the orthorhombic phase which leads to very strong scattering of heat-carrying phonons due to grain boundary effects able to yield a largely reduced value of the conductivity as well as to a plateau-like feature at intermediate temperatures which contrasts with a bell-shaped maximum shown by data pertaining the disordered crystal. The relevance of the present findings within the context of glassy dynamics of the orientational glass state is finally discussed.

Title

Glassy Dynamics versus Thermodynamics: The Case of 2-Adamantanone.

Author

Szewczyk D1, Jeżowski A1, Vdovichenko GA2, Krivchikov AI2, Bermejo FJ3, Tamarit JL4, Pardo LC4, Taylor JW5.

Publish date

2015 Jul 2

PMID

7192647

Abstract

The synthesis of (+/-)-1-(adamantan-2-yl)-2-propanamine (VI), its N,N-dimethyl derivative (VII) and other amines (VIII), (IX) and (X), starting from 2-adamantanone, is described. Some of these amines showed antiparkinson activity in mice.

Title

(+/-)-1-(Adamantan-2-yl)-2-propanamine and other amines derived from 2-adamantanone.

Author

Mariani E, Schenone P, Bondavalli F, Lampa E, Marmo E.

Publish date

1980 May

PMID

11749572

Abstract

The (13)C and (1)H isotropic chemical shift values computed at HF, BLYP, B3LYP, and MPW1PW91/6-311+G(2d,p) levels of theory, for the BLYP and B3LYP/6-31G(d,p) optimized geometries of adamantane, 2-adamantanone, and 2,4-methano-2,4-dehydroadamantane ([3.1.1] propellane) are reported and compared with the experimental data. Except for the “inverted” carbon atoms and some of their nearest neighbors, the HF values are superior over the DFT ones, when the isotropic shifts with respect to TMS are in question. However, in case of the relative shifts computed with respect to the most deshielded center within the molecule, the DFT methods yield significantly better agreement with the experimental data than the HF method, the hybrid DFT methods being superior over “pure” DFT ones. The most probable reason for these findings may be the cancellation of errors arising from the inappropriate description of the paramagnetic contributions to the overall shielding tensor within the Kohn-Sham approach when an internal standard (within a molecule) is chosen, instead of an external one. Almost excellent linear correlation was found between the calculated and experimental relative shift values, which is significantly superior at DFT levels than at HF level, further proving the more systematical nature of errors in predicting the second-order magnetic response properties at DFT levels of theory. Among all DFT methods employed, the MPW1PW91 showed the best performance, in line with the significantly improved long-range behavior of this functional, as compared to the B3LYP one.

Title

On the choice of optimal methodology for calculation of (13)C and (1)H NMR isotropic chemical shifts in cagelike systems. Case studies of adamantane, 2-adamantanone, and 2,4-methano-2,4-dehydroadamantane.

Author

Vikić-Topić D1, Pejov L.

Publish date

2001 Nov-Dec