38393-97-4

Basic information

• Product Name: 5-(tert-butyl)-1,1-dimethylindan
• Synonyms: 5-(tert-butyl)-1,1-dimethylindan;5-tert-Butyl-1,1-dimethylindane;5-tert-Butyl-2,3-dihydro-1,1-dimethyl-1H-indene
• CAS NO: 38393-97-4
• Molecular Formula: C₁₅H₂₂
• Molecular Weight: 202.33518
• EINECS: 253-910-7
• Mol File: 38393-97-4.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 254.6°Cat760mmHg
• Flash Point: 102.9°C
• Appearance: /
• Density: 0.904g/cm³
• Vapor Pressure: 0.0274mmHg at 25°C
• Refractive Index: 1.503
• CAS DataBase Reference: 5-(tert-butyl)-1,1-dimethylindan(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(tert-butyl)-1,1-dimethylindan(38393-97-4)
• EPA Substance Registry System: 5-(tert-butyl)-1,1-dimethylindan(38393-97-4)

Safety Data

• Hazardous Substances Data: 38393-97-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C15H22/c1-14(2,3)12-6-7-13-11(10-12)8-9-15(13,4)5/h6-7,10H,8-9H2,1-5H3

Upstream product

• 38393-94-1 6-tert-butyl-3,3-dimethyl-1-indanone 
• 4912-92-9 1,1-dimethylindan 
• 75-65-0 tert-butyl alcohol 
• 6683-74-5 2-bromo-1,4-di-tert-butylbenzene 
• 5182-66-1 1,4-di-tert-butyl-2-iodobenzene 
• 74-95-3 1,1-dibromomethane 
• 16204-73-2 4-tert-butyl-1,1-dimethylindan 
• 507-20-0 tertiary butyl chloride 

Downstream Products

• 13171-00-1 Celestolide 
• 1217-45-4 9,10-dicyanoanthracene radical anion 
• 3247-65-2 4-ethyl-6-tert-butyl-1,1-dimethyl-indan 

Relevant articles and documents

Gold(I)-Catalyzed Intramolecular C(sp3)?H Insertion by Decarbenation of Cycloheptatrienes

A novel synthesis of indanes and dihydronaphtalenes based on the intramolecular insertion into C(sp3)?H bonds of gold(I) carbenes generated by retro-Buchner reaction (decarbenation) has been developed. Deuterium-labeling and kinetic isotope effect experiments, DFT calculations, and generation of the proposed carbene intermediate from a well-characterized gold(I) carbenoid support the involvement of a three-center concerted mechanism for the C(sp3)?H functionalization process.

Synthesis of 4-tert-Butyl-1,1-dimethylindan and 7-tert-Butyl-3,3-dimethyl-1-indanone and a Comparison of Isomers

4-tert-Butyl-1,1-dimethylindan was synthesized to help establish the identity of products (5- and 6-tert-butyl-1,1-dimethylindan as minor and major products, respectively) from the sulfuric acid catalyzed condensation of tert-butylbenzene and isoprene.NMR (1H and 13C) studies of these hydrocarbons and their corresponding indanones, obtained through chromic acid oxidation, provided structural proof.Gated decoupling experiments were crucial to complete assignment.