3395-87-7

Basic information

• Product Name: 1-tert-butyl-4-(methoxymethyl)benzene
• Synonyms: 1-tert-Butyl-4-(methoxymethyl)benzene; 4-tert-Butylbenzyl methyl ether; benzene, 1-(1,1-dimethylethyl)-4-(methoxymethyl)-
• CAS NO: 3395-87-7
• Molecular Formula: C₁₂H₁₈O
• Molecular Weight: 178.2707
• Mol File: 3395-87-7.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 223.5°C at 760 mmHg
• Flash Point: 89°C
• Density: 0.912g/cm³
• Vapor Pressure: 0.143mmHg at 25°C
• Refractive Index: 1.484
• CAS DataBase Reference: 1-tert-butyl-4-(methoxymethyl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-tert-butyl-4-(methoxymethyl)benzene(3395-87-7)
• EPA Substance Registry System: 1-tert-butyl-4-(methoxymethyl)benzene(3395-87-7)

Safety Data

• Hazardous Substances Data: 3395-87-7(Hazardous Substances Data)

Usage

Aromatic compound

Yes, has a benzene ring

Substituents

tert-butyl group, methoxymethyl group

Usage

fragrance ingredient in perfumes and other cosmetic products, building block in organic synthesis, solvent in industrial processes

Hazards

harmful if swallowed, inhaled, or in contact with skin, may cause irritation to the respiratory system and eyes

Safety precautions

proper safety precautions and protective equipment should be used when working with this compound.

Upstream product

• 67-56-1 methanol 
• 98-51-1 4-tert-butyltoluene 
• 3395-82-2 4-t-butylbenzaldehyde dimethyl acetal 
• 18880-00-7 1-(bromomethyl)-4-(1,1-dimethylethyl)benzene 
• 1184731-46-1 C₁₅H₂₀O 
• 88001-42-7 benzyl 2-methoxypyrrolidine-1-carboxylate 
• 877-65-6 p-tert-butylbenzyl alcohol 
• 74-88-4 methyl iodide 
• 939-97-9 4-tert-Butylbenzaldehyde 

Downstream Products

• 26434-41-3 C₂₄H₃₄O₂ 
• 26434-41-3 C₂₄H₃₄O₂ 
• 942433-35-4 N-(4-tert-butylbenzyl)acetamide 
• 939-97-9 4-tert-Butylbenzaldehyde 
• 98-51-1 4-tert-butyltoluene 
• 26537-19-9 methyl 4-tert-butylbenzoate 
• 4210-32-6 4-tert-butyl benzonitrile 

Relevant articles and documents

Friedel-crafts reaction of benzyl fluorides: Selective activation of C-f bonds as enabled by hydrogen bonding

A Friedel-Crafts benzylation of arenes with benzyl fluorides has been developed. The reaction produces 1,1-diaryl alkanes in good yield under mild conditions without the need for a transition metal or a strong Lewis acid. A mechanism involving activation of the C-F bond through hydrogen bonding is proposed. This mode of activation enables the selective reaction of benzylic C-F bonds in the presence of other benzylic leaving groups.

Gold-catalyzed oxidative cleavage of aryl-substituted alkynyl ethers using molecular oxygen. Simultaneous degradation of C-H and single and triple carbon-carbon bonds under ambient conditions

We report the gold-catalyzed oxidative cleavage of aryl-substituted alkynyl ethers using molecular oxygen under ambient conditions; the transformation involves a remarkable cleavage of C-H, C-C and CC bonds simultaneously.

Mechanistic and kinetic aspects of the direct electrochemical oxidation of 4-t-butyltoluene

The direct electrochemical oxidation of 4-t-butyltoluene at graphite electrodes in methanol, using NaClO4 as electrolyte, has been investigated in order to obtain an insight into the mechanism and kinetics of the anodic reactions taking place. It is shown that an increase in current density affects the product distribution, leading to a better yield of the target product 4-t-butylbenzaldehyde dimethyl acetal and a lower percentage of unknowns at the expense of an increase in electrical charge. It is suggested that oxidation takes place by two mechanisms: a direct one involving oxidation of the substrate at the electrode, and an indirect one where a pool of solvent radicals assists in the oxidation process. Further evidence is provided for reaction mechanisms in studies where the substrate loading is varied, and also where the ratio of substrate to solvent is varied; when the concentration of the substrate is high, there is evidence of the formation of dimers and other unknowns. Under certain conditions, these anodic reactions can be regarded as parallel consecutive second order reactions. The role played by the solvent is confirmed by kinetic data.