20691-52-5

Basic information

• Product Name: 4-tert-butylcyclohexanecarbaldehyde
• Synonyms: 4-tert-butylcyclohexanecarbaldehyde;Cyclohexanecarboxaldehyde, 4-(1,1-dimethylethyl)-;4-(1,1-Dimethylethyl)cyclohexanecarbaldehyde;4-tert-Butyl-cyclohexanecarboxaldehyde;Einecs 243-974-4
• CAS NO: 20691-52-5
• Molecular Formula: C₁₁H₂₀O
• Molecular Weight: 168.2759
• EINECS: 243-974-4
• Mol File: 20691-52-5.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 222.7°Cat760mmHg
• Flash Point: 75.3°C
• Appearance: /
• Density: 0.938g/cm³
• Vapor Pressure: 0.1mmHg at 25°C
• Refractive Index: 1.497
• CAS DataBase Reference: 4-tert-butylcyclohexanecarbaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 4-tert-butylcyclohexanecarbaldehyde(20691-52-5)
• EPA Substance Registry System: 4-tert-butylcyclohexanecarbaldehyde(20691-52-5)

Safety Data

• Hazardous Substances Data: 20691-52-5(Hazardous Substances Data)

Usage

General Description

4-tert-Butylcyclohexanecarbaldehyde is a chemical compound with the molecular formula C13H22O. It is a colorless liquid with a strong odor, and is commonly used as a flavoring agent in the food industry. It is also used in the synthesis of pharmaceuticals and other organic compounds. This chemical is known for its ability to undergo a variety of chemical reactions, making it useful in a wide range of applications. However, it should be handled with care as it is a flammable and potentially hazardous substance.

InChI:InChI=1/C11H20O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h8-10H,4-7H2,1-3H3

Upstream product

• 5451-55-8 4-tert-butylcyclohexanecarboxylic acid 
• 60-29-7 diethyl ether 
• 20691-53-6 (4-(tert-butyl)cyclohexyl)methanol 
• 98-53-3 4-tercbutyl-cyclohexanone 
• 56300-88-0 2-(4-tert-butylcyclohexylidene)acetaldehyde 
• 110166-50-2 2-(4-tert-Butyl-cyclohexyl)-benzo[1,3]dithiole 
• 113388-53-7 Formic acid 4-tert-butyl-cyclohexylidenemethyl ester 
• 201230-82-2 carbon monoxide 
• 2228-98-0 4-tert-butylcylohexene 
• 63830-88-6 4-t-Butylcyclohexan-1-oxiran-2-ylmethyltrimethylsilane 

Downstream Products

• 31865-37-9 cis/trans-4-tert-Butylcyclohexancarbonitril 
• 15619-18-8 trans-4-tert-Butylcyclohexanecarbonitrile 
• 15619-19-9 cis-4-tert-Butylcyclohexanecarbonitrile 

Relevant articles and documents

Method for reducing carboxylic acid into aldehyde compounds

The invention discloses a method for reducing carboxylic acid into aldehyde compounds, and belongs to the field of organic chemical synthesis. Specifically, in an argon atmosphere, a carboxylic acid compound, a transition metal nickel compound, an anhydride compound, a ligand and a reducing agent are dissolved in an organic solvent, the mixture is heated and subjected to stirring reaction, after the reaction is finished, the pressure is reduced to remove the organic solvent, column chromatography separation is performed, and various aldehyde compounds are obtained. The method has the advantages of simple synthesis steps, mild reaction conditions, simplicity and easiness in operation, realization of successful reduction of the carboxylic acid compound into the aldehyde organic compounds, small use amount of the reaction catalyst, high product yield, and provision of a new approach for reduction of the carboxylic acid compound into the aldehyde compounds. Compared with a conventional method, the method has the advantages that raw materials are cheap, easy to obtain and environmentally friendly, substrate universality and functional group compatibility are improved, and the method hascertain innovativeness and unique research significance in organic synthesis methodology.

A New Synthetic Application of 1,2-Benzodithiolium Cations: Synthesis of Aldehydes by 1-Carbon Homologation of Carbonyl Compounds

Eleven aldehydes (6a-l) were synthesized by 1-carbon homologation of ketones and aldehydes according to the following sequence: Horner-Emmons reaction of 2-(O,O-dimethylphosphonyl)-1,3-benzodithiole (1) and various carbonyl compounds (2) to give benzo-1,4-dithiafulvenes (3); reduction with sodium borohydride and tetrafluoroboric acid-ether complex in dry acetonitrile to 1,3-benzodithioles (5); subsequent hydrolysis of these with mercury(II)oxide and aqueous tetrafluoroboric acid (35percent) in tetrahydrofuran.The procedure is simple, of wide application, and afforded pure aldehydes in good overall yields (55-88percent).

SILICON IN SYTHESIS-17 CHLROMETHYL(TRIMETHYLSILYL)LITHIUM-A NEW REAGENT FOR THE DIRECT CONVERSION OF ALDEHYDES AND KETONES INTO α,β-EPOXYTRIMETHYLSILANES

Treatment of chloromethyltrimethylsilane 1 with sec-BuLi at -78 deg produces chloromethyl(trimethylsilyl)lithium 4.Treatment of 4 with a wide range of aldehydes and ketones gives α,β-epoxytrimethylsilanes 5-28, which on acidic hydrolysis give homologated aldehydes.