Idramantone

HCID 64184
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Basic information

CAS
20098-14-0
Standard SMILES
O=C1C2CC3CC1CC(O)(C3)C2
InChIKey
TZBDEVBNMSLVKT-UHFFFAOYSA-N
Molecular formula
C10H14O2
Average molar mass
166.22 g/mol
Monoisotopic mass
166.09937969

Overview

Idramantone is a member of adamantanones.

Names & identifiers

Preferred name
Idramantone
IUPAC
5-hydroxyadamantan-2-one
English name
5-Hydroxyadamantan-2-one
Molecular formula
C10H14O2
Molecular weight
166.22

Names & synonyms

5-Hydroxyadamantan-2-oneIdramantone20098-14-05-Hydroxy-2-adamantanoneKemantanekemantanIdramantonaDTXSID8046581NSC-7603757J4759Y5J1DTXCID6026581CHEBI:48581
Show more names
HADONAKOS BB-9629CHEMBRDG-BB 4013898HydroxyadamantanoneAdamantan-4-on-1-olKemantane( Idramantone)
Tricyclo[3.3.1.13,7]decanone, 5-hydroxy-Tricyclo(3.3.1.13,7)decanone, 5-hydroxy-idramantonumkamantaneRefChem:7905691-hydroxyadamantan-4-one892-625-85-Hydroxy-2-adamantone

Database identifiers

CAS
20098-14-0
PubChem CID
64184
DTXSID
DTXSID8046581
ChEMBL
CHEMBL2105062
ChEBI
CHEBI:48581
UNII
7J4759Y5J1
EC Number
892-625-8

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Melting point
300 °C · >300 °C (lit.)
Boiling point
296.5 · 296.5±33.0 °C(Predicted)
Density
1.301 · 1.301±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
solubility
DMSO, Methanol
pka
14.69 · 14.69±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29144000
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 4 items

Description5-Hydroxy-2-adamantanone (5-hydroxyadamantan-2-one) is a versatile starting material for synthesising various 2,5- or 1,4-disubstituted adamantanes. Chemical methods for synthesizing 5-hydroxy-2-adamantanone include disproportionation of 2-hydroxyadamantane and oxidation of 2-adamantanone. A synthetic approach to produce 5-hydroxy-2-adamantanone using P450cam (CYP101A1; a camphor monooxygenase) coupled with NADH regeneration as an oxidation biocatalyst has been reported[1].

Usesanthelmintic

Uses5-Hydroxy-2-adamantanone may be used in the following studies:As a model compound to investigate the application of lanthanide NMR shift reagents for the analysis of disubstituted derivative of adamantane.As a starting material for the synthesis of E-2-amino-5-hydroxyadamantane.As a starting material for the synthesis of 4-(triphenylsilyloxy)adamantan-1-ol.

General Description5-Hydroxy-2-adamantanone is a disubstituted derivative of adamantane. The biocatalyzed synthesis of 5-hydroxy-2-adamantanone from 2-adamantanone has been investigated.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Additional notes

DefinitionChEBI: Idramantone is a member of adamantanones.

Related reactions

65 records
New reaction record

Compound notes

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