4-Azahomoadamantan-5-one

Suppliers

Names

[ Name ]:
4-Azahomoadamantan-5-one

[Synonym ]:
4-AZAHOMOADAMANTAN-5-ONE
MFCD00154765
4-Azatricyclo[4.3.1.1]undecan-5-one
5-Azatricyclo[4.3.1.13,8]undecane-4-one
4-azatricyclo(4.3.1.1(sup3,8))undecan-5-one
4-azatricyclo<4.3.1.11,3>undecan-5-one
2-azatricyclo[4.3.1.14.8]undecan-3-one
4-azatricyclo<4.3.1.13,8>undecan-5-one

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
344.0±11.0 °C at 760 mmHg

[ Melting Point ]:
316-318ºC(lit.)

[ Molecular Formula ]:
C₁₀H₁₅NO

[ Molecular Weight ]:
165.232

[ Flash Point ]:
201.3±4.2 °C

[ Exact Mass ]:
165.115356

[ PSA ]:
29.10000

[ LogP ]:
0.51

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.523

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CM0732000

CHEMICAL NAME :: 4-Azatricyclo(4.3.1.1(sup 3,8))undecan-5-one

CAS REGISTRY NUMBER :: 22607-75-6

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H15-N-O

MOLECULAR WEIGHT :: 165.26

WISWESSER LINE NOTATION :: T66 B7/B-H/DJ A B- C 1B J IMVTJ

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 :: 56 mg/kg

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

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,411,1971

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
26-36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
CM0732000

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

N-Hydroxy-2-adamantanimine
adamantanone
ester 4-dithioethylcarbonate 4-azatricyclo[4.3.1.1(3,8)]undecan-5-one
spiro[adamantane-2,3'-[1,2]oxaziridine]
adamantanone O-sulfooxime ammonium salt
((adamantan-2-ylideneamino)oxy)sulfonic acid
4-phenylsulfanyl-4-azatricyclo[4.3.1.1(3,8)]undecan-5-one
4-nitroso-4-azatricyclo[4.3.1.13,8]undecan-5-one
Methanesulfonic acid

DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

The Beckmann rearrangement of adamantanone oxime. Korsloot JG and Keizer VG.

Tetrahedron Lett. 10(40) , 3517-20, (1969)

Structure of 4-azatricyclo [4.3. 1.13, 8] undecan-5-one (homoazaadamantanone). Symersky J, et al.

Acta Crystallogr. C Struct. Chem. 42(1) , 76-78, (1986)