adamantanone

Names

[ CAS No. ]:
700-58-3

[ Name ]:
adamantanone

[Synonym ]:
2-Adamantanone
MFCD00074737
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
EINECS 211-847-2
4,6-Dehydroadamantanone
adamantanone
Tricyclo[3.3.1.1]decan-2-one

Biological Activity

[Description]:

Adamantanone (2-Adamantone) is a bioactive chemical, and can be used for the synthesis of active compound[1].

[Related Catalog]:

Research Areas >> Others

Signaling Pathways >> Others >> Others

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
246.7±8.0 °C at 760 mmHg

[ Melting Point ]:
256-258 °C (subl.)(lit.)

[ Molecular Formula ]:
C₁₀H₁₄O

[ Molecular Weight ]:
150.218

[ Flash Point ]:
95.7±10.7 °C

[ Exact Mass ]:
150.104462

[ PSA ]:
17.07000

[ LogP ]:
1.60

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.535

[ Water Solubility ]:
methanol: 0.1 g/mL, clear

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AU5018000

CHEMICAL NAME :: 2-Adamantanone

CAS REGISTRY NUMBER :: 700-58-3

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H14-O

MOLECULAR WEIGHT :: 150.24

WISWESSER LINE NOTATION :: L66 B6/B-H/DI A B- C 1B I AVTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 780 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 10,454,1976

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R52

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
AU5018000

[ HS Code ]:
29142900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2914299000

[ Summary ]:
2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Articles

Effect of adamantanone derivative possessing anti-HIV properties on the redox processes in the cytochrome P-450 system.

Dokl. Biochem. Biophys. 378 , 210-3, (2001)

Conformational relaxation in hemoproteins: the cytochrome P-450cam case.

Biochemistry 39(46) , 14219-31, (2000)

Photodissociation of (CO)P-450(cam)(substrate) complexes was found to trigger a conformational relaxation process that interferes with ligand rebinding at temperatures as low as 140 K even though the ...

The structural basis for substrate-induced changes in redox potential and spin equilibrium in cytochrome P-450CAM.

Biochemistry 28(2) , 917-22, (1989)

The crystal structures of cytochrome P-450CAM complexed with the alternative substrates norcamphor and adamantanone have been refined at 2.0-A resolution and compared with the native, camphor-bound fo...