CAS 18880-00-7

4-tert-Butylbenzyl bromide

Description:

4-tert-Butylbenzyl bromide is an organic compound characterized by its structure, which features a benzyl group substituted with a tert-butyl group at the para position and a bromine atom. It is typically a colorless to pale yellow liquid with a distinctive aromatic odor. This compound is known for its reactivity, particularly in nucleophilic substitution reactions due to the presence of the bromine atom, which can be replaced by various nucleophiles. It is soluble in organic solvents such as ether and chloroform but has limited solubility in water. 4-tert-Butylbenzyl bromide is often used as an intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. Safety considerations include handling it in a well-ventilated area and using appropriate personal protective equipment, as it may pose health risks if inhaled or absorbed through the skin. Proper storage in a cool, dry place away from light is also recommended to maintain its stability.

Formula: C₁₁H₁₅Br

InChI: InChI=1S/C11H15Br/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3

InChI key: InChIKey=QZNQSIHCDAGZIA-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C1=CC=C(CBr)C=C1

Synonyms:

• 1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene
• 1-(Bromomethyl)-4-Tert-Butylbenzene
• 1-tert-Butyl-4-(bromomethyl)benzene
• 4-(1,1-Dimethylethyl)benzyl bromide
• 4-(Tert-Butyl)Benzyl Bromide
• 4-tert-Butyl-1-bromomethylbenzene
• 4-tert-Butylbenzyl bromide
• 4-tert-Butylphenylmethyl bromide
• Benzene, 1-(bromomethyl)-4-(1,1-dimethylethyl)-
• Bromo(4-tert-butylphenyl)methane
• NSC 186287
• Toluene, α-bromo-p-tert-butyl-
• p-tert-Butylbenzyl bromide

1-(Bromomethyl)-4-tert-butylbenzene

CAS: 18880-00-7

Formula: C₁₁H₁₅Br

Purity: >98.0%(GC)

Color and Shape: Colorless to Yellow clear liquid

Molecular weight: 227.15

Ref: 3B-B6337

4-tert-Butylbenzyl bromide, 97%

CAS: 18880-00-7

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₁₁H₁₅Br

Purity: 97%

Color and Shape: Liquid, Clear colorless to yellow

Molecular weight: 227.15

Ref: 02-H26991

Benzene, 1-(bromomethyl)-4-(1,1-dimethylethyl)-

CAS: 18880-00-7

Formula: C₁₁H₁₅Br

Purity: 95%

Color and Shape: Liquid

Molecular weight: 227.1408

Ref: IN-DA002HC2

4-(tert-Butyl)benzyl bromide

CAS: 18880-00-7

4-(tert-Butyl)benzyl bromide

Purity: 98%

Color and Shape: Pale Yellow Liquid

Molecular weight: 227.14g/mol

Ref: 54-OR15934

p-tert-Butylbenzyl bromide

CAS: 18880-00-7

Formula: C₁₁H₁₅Br

Purity: 97.0%

Color and Shape: Liquid, Clear

Molecular weight: 227.145

Ref: 10-F024236

4-tert-Butylbenzyl Bromide

Controlled Product

CAS: 18880-00-7

Applications 4-tert-Butylbenzyl Bromide was used as a reagent in the organic synthesis of several compounds including that of C(5)-substituted analogs of inhibitor BRP-7. Also used in the preparation of hydroxy-based sphingosine kinase inhibitors.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Levent, S., et al.: Eur. J. Med. Chem., 122, 510 (2016); Xi, M., et al.: Bioorgan. Med. Chem., 24, 3218 (2016);

Formula: C₁₁H₁₅Br

Color and Shape: Neat

Molecular weight: 227.14

Ref: TR-B692456

4-tert-Butylbenzyl Bromide-D13

Controlled Product

CAS: 18880-00-7

Applications 4-tert-Butylbenzyl Bromide-D13 is the labeled form of 4-tert-Butylbenzyl Bromide (B692457), which was used as a reagent in the organic synthesis of several compounds including that of C(5)-substituted analogs of inhibitor BRP-7. Also used in the preparation of hydroxy-based sphingosine kinase inhibitors;Also, it is an intermediate used in the synthesis of Pyridaben-d13 (P991262), which is deuterium labelled Pyridaben. Pyridaben is a pyridazinone derivative used as an insecticide and acaricide. In the European Union, Pyridaben has been authorized for use as an insecticide and acaricide from 1 May 2011. In Germany, Austria and Switzerland, no plant protection products containing this active substance are authorized. Pyridaben is a colorless solid that is practically insoluble in water. Cann
References Levent, S., et al.: Eur. J. Med. Chem., 122, 510 (2016); Xi, M., et al.: Bioorgan. Med. Chem., 24, 3218 (2016);

Formula: C₁₁D₁₃H₂Br

Color and Shape: Neat

Molecular weight: 240.221

Ref: TR-B692457

4-tert-Butylbenzyl bromide

CAS: 18880-00-7

4-tert-Butylbenzyl bromide is a chemical reagent that is used in the synthesis of other organic compounds. It is a hydrated, hydrogen sulfate salt that can be prepared by reacting trifluoroacetic acid with benzyl alcohol. 4-tert-Butylbenzyl bromide can also be synthesized by treating 4-bromobenzaldehyde with potassium hydroxide and water in an autoclave. It reacts as a nucleophile, attacking the electrophilic carbon atom of an ethoxylate to form a butyric acid ester. This reaction mechanism has been confirmed by both gravimetric analysis and structural analysis of the product. Hydrogen bonding between molecules may play an important role in this reaction, as well as intermolecular hydrogen bonding between the aromatic ring and the alkyl chain. The reaction rate is dependent on temperature and pressure, which are controlled through distillation or vacuum distillation

Formula: C₁₁H₁₅Br

Purity: Min. 95%

Molecular weight: 227.14 g/mol

Ref: 3D-FT12533

4-tertButylbenzyl bromide

CAS: 18880-00-7

4-tertButylbenzyl bromide is a chemical intermediate that is used in the synthesis of other chemicals. It is a useful building block and a versatile intermediate. 4-tertButylbenzyl bromide can be used as a reagent for organic chemistry, pharmaceuticals, and agrochemicals. It is also used to synthesize derivatives such as 4-tertButylbenzaldehyde and 4-tertButyldiphenylmethane. This chemical has been listed under CAS No. 18880-00-7.

Formula: C₃H₅Br

Molecular weight: 120.98 g/mol

Ref: 3D-J-640261