1-Adamantyl methyl ketone - CAS 1660-04-4

Catalog:	BB012237
Product Name:	1-Adamantyl methyl ketone
CAS:	1660-04-4
Synonyms:	1-(1-adamantyl)ethanone

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-(1-adamantyl)ethanone
Description:	1-Adamantyl methyl ketone (CAS# 1660-04-4) is a sterically bulky ketone substrate, was reduced to the corresponding alcohol with excellent optical purity.
Molecular Weight:	178.27
Molecular Formula:	C12H18O
Canonical SMILES:	CC(=O)C12CC3CC(C1)CC(C3)C2
InChI:	InChI=1S/C12H18O/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3
InChI Key:	DACIGVIOAFXPHW-UHFFFAOYSA-N
Boiling Point:	262.3 °C at 760 mmHg
Density:	1.077 g/cm³
Appearance:	White crystalline powder
MDL:	MFCD00074739
LogP:	2.79180

Publication Number	Title	Priority Date
WO-2020208060-A1	Use of sk2 inhibitors in combination with immune checkpoint blockade therapy for the treatment of cancer	20190409
US-2020289609-A1	Peptidomimetic macrocycles and uses thereof	20190315
US-2020133122-A1	Novel onium salt, chemically amplified resist composition, and patterning process	20181024
WO-2020044771-A1	Actinic-ray-sensitive or radiation-sensitive resin composition, resist film, pattern formation method, and electronic device manufacture method	20180829
KR-20210005231-A	Actinic ray-sensitive or radiation-sensitive resin composition, resist film, pattern formation method, electronic device manufacturing method	20180829

PMID	Publication Date	Title	Journal
21608132	20110801	Discovery of adamantyl heterocyclic ketones as potent 11β-hydroxysteroid dehydrogenase type\u20051 inhibitors	ChemMedChem
20363012	20100801	A supramolecular bifunctional artificial enzyme with superoxide dismutase and glutathione peroxidase activities	Bioorganic chemistry
16826293	20060721	Stereoselective ketone reduction by a carbonyl reductase from Sporobolomyces salmonicolor. Substrate specificity, enantioselectivity and enzyme-substrate docking studies	Organic & biomolecular chemistry
11858989	20020311	New 2-(1-adamantylcarbonyl)pyridine and 1-acetyladamantane thiosemicarbazones-thiocarbonohydrazones: cell growth inhibitory, antiviral and antimicrobial activity evaluation	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Bridged Compounds

[26749-97-3]
3-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanoic acid
[2306274-51-9]
tert-Butyl 3-benzyl-6-oxo-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
[796963-34-3]
3-Methylbicyclo[1.1.1]pentan-1-amine hydrochloride
[2096992-05-9]
Ethyl 2-(3-((tert-butoxycarbonyl)amino)bicyclo[1.1.1]pentan-1-yl)acetate
[676589-12-1]
Ethyl 5-(1-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
[204854-09-1]
(-)-2,10-(3,3-dichlorocamphorsultam)

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[69616-74-6]
2',4-Dihydroxy-3',4',6'-trimethoxychalcone
[151585-93-2]
2-Amino-6-fluorobenzaldehyde

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.135765193
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	178.135765193
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5