54513-99-4

Basic information

• Product Name: CYCLOHEXANONE-3,3,4,4,5,5-D6
• Synonyms: CYCLOHEXANONE-3,3,4,4,5,5-D6;Cyclohexanone--d6
• CAS NO: 54513-99-4
• Molecular Formula: C6H4D6O
• Molecular Weight: 104.18
• Product Categories: Intermediates;Isotope Labelled Compounds
• Mol File: 54513-99-4.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: CYCLOHEXANONE-3,3,4,4,5,5-D6(CAS DataBase Reference)
• NIST Chemistry Reference: CYCLOHEXANONE-3,3,4,4,5,5-D6(54513-99-4)
• EPA Substance Registry System: CYCLOHEXANONE-3,3,4,4,5,5-D6(54513-99-4)

Safety Data

• Hazardous Substances Data: 54513-99-4(Hazardous Substances Data)

Usage

Uses

A labelled intermediate in the synthesis

Upstream product

• 56292-88-7 <2,2,6,6-2H4>cyclohexane-1,4-dione monoethylene ketal 2,2,6,6-d4 
• 4746-97-8 cyclohexanedione monoethylene ketal 
• 51209-49-5 perdeuterocyclohexanone 

Downstream Products

• 1398718-12-1 D₆-1-aminocyclohexanecarboxylic acid 
• 1398718-57-4 (S)-D₆-(9H-fluoren-9-yl)methyl 1-(1-cyano-2-(4'-((4-methylpiperazin-1-yl)methyl)biphenyl-4-yl)ethylcarbamoyl)cyclohexylcarbamate 
• 1398718-16-5 D₆-1-(((9H-fluoren-9-yl)methoxy)carbonylamino)cyclohexane carboxylic acid 
• 1398717-93-5 (S)-D₆-1-amino-N-(1-cyano-2-(4'-((4-methyl-piperazin-1-yl)methyl)biphenyl-4-yl)ethyl)cyclohexanecarboxamide 

Relevant articles and documents

Synthesis of - and Lysines

Starting from readily available cyclohexanone (1), synthesis of the title - and lysines (11) and (18) is described.Although direct incorporation of an amino or phthalimide group into the 2-bromohexanoic acid (5), which was derived from 1 in five steps. leading to 11 was unsuccessful due to hydrogen-deuterium scrambling, compound (11) was obtained in 86percent deuterium content via incorporation of an azido group and subsequent hydrogenation.Furthermore, compound (18) having 99percent deuterium content could be prepared by acid-catalysed deuterium exchange of 1 as a key-step.