102402-84-6

Basic information

• Product Name: 3-(1-ADAMANTYL)PENTANE-2,4-DIONE
• Synonyms: 3-(1-ADAMANTYL)PENTANE-2,4-DIONE;2,4-pentanedione, 3-tricyclo[3.3.1.1~3,7~]dec-1-yl-;3-(1-adamantyl)pentane-2,4-dione(SALTDATA: FREE)
• CAS NO: 102402-84-6
• Molecular Formula: C₁₅H₂₂O₂
• Molecular Weight: 234.34
• Product Categories: Adamantane derivatives
• Mol File: 102402-84-6.mol
• Article Data: 8

Chemical Properties

• Melting Point: 55-56℃
• Boiling Point: 335.9°C at 760 mmHg
• Flash Point: 126°C
• Appearance: /
• Density: 1.097g/cm³
• Vapor Pressure: 0.000116mmHg at 25°C
• Refractive Index: 1.523
• CAS DataBase Reference: 3-(1-ADAMANTYL)PENTANE-2,4-DIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(1-ADAMANTYL)PENTANE-2,4-DIONE(102402-84-6)
• EPA Substance Registry System: 3-(1-ADAMANTYL)PENTANE-2,4-DIONE(102402-84-6)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 102402-84-6(Hazardous Substances Data)

Usage

General Description

3-(1-Adamantyl)pentane-2,4-dione is a chemical compound with the molecular formula C15H22O2 and a molar mass of 234.33 g/mol. It is also known as 1-Adamantanone and is a cyclic ketone with an adamantane backbone. 3-(1-ADAMANTYL)PENTANE-2,4-DIONE is used in the synthesis of various pharmaceuticals and organic compounds. It is a white crystalline solid with a melting point of 293-295°C and is insoluble in water but soluble in organic solvents. 1-Adamantanone is mainly used in research and development of new drugs and as an intermediate in the synthesis of other chemicals. It is important to handle this compound with care as it may have toxic and hazardous properties.

InChI:InChI=1/C15H22O2/c1-9(16)14(10(2)17)15-6-11-3-12(7-15)5-13(4-11)8-15/h11-14H,3-8H2,1-2H3

Upstream product

• 768-90-1 1-Adamantyl bromide 
• 14024-48-7 bis(acetylacetonato)cobalt(II) 
• 768-95-6 1-adamanthanol 
• 123-54-6 acetylacetone 
• 32314-61-7 1-nitroxyadamantane 
• 108-22-5 Isopropenyl acetate 
• 935-56-8 1-chloroadamantane 

Downstream Products

• 19835-39-3 1-(1-adamantyl)propan-2-one 
• 108221-12-1 3,5-dimethyl-4-(1-adamantyl)pyrazole 
• 108221-18-7 4-(1-adamantyl)-3,5-dimethylisoxazole 
• 108221-16-5 4-(1-adamantyl)-3,5-dimethyl-1-phenylpyrazole 

Relevant articles and documents

Synthesis of 3-(adamantan-1-yl)pentane-2,4-dione from 1-bromo(chloro, hydroxy)adamantane and acetylacetone in the presence of metal complex catalysts

3-(Adamantan-1-yl)pentane-2,4-dione has been synthesized in high yield by reaction of 1-bromo-, 1-chloro-, or 1-hydroxyadamantane with acetylacetone in the presence of manganese or iron compounds.

Mechanistic studies on the alkylation of pentane-2,4-dione through its Co(II) complex

A mechanistic study on the alkylation of pentane-2,4-dione through its Co(II) complex in concentrated chloroform solutions indicates the operation of a "non carbon radical" chain mechanism based in the ability of cobalt to undergo redox processes between

A DUAL MECHANISTIC PATHWAY IN THE ALKYLATION OF PENTANE-2,4-DIONE THROUGH ITS Co(II) COMPLEX

A mechanistic study on the alkylation of pentane-2,4-dione through its Co(II) complex has shown that a non radical chain mechanism initiated by an electron transfer step induced by Co(II) operates under certain experimental conditions.