CAS 889858-12-2

tert-Butyl 4-bromo-2-fluorobenzoate

Description:

Tert-Butyl 4-bromo-2-fluorobenzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid. It features a tert-butyl group, a bulky alkyl substituent that enhances its solubility in organic solvents and influences its reactivity. The presence of both bromine and fluorine atoms on the aromatic ring introduces significant electronegativity differences, which can affect the compound's chemical behavior, including its reactivity in nucleophilic substitution reactions. The bromine atom typically acts as a leaving group, while the fluorine can influence the electronic properties of the aromatic system. This compound is likely to be a colorless to pale yellow liquid or solid, depending on its purity and temperature. Its applications may include use in organic synthesis, pharmaceuticals, or as an intermediate in the production of more complex molecules. Safety precautions should be observed when handling this compound, as halogenated compounds can pose health risks and environmental concerns.

Formula: C₁₁H₁₂BrFO₂

InChI: InChI=1S/C11H12BrFO2/c1-11(2,3)15-10(14)8-5-4-7(12)6-9(8)13/h4-6H,1-3H3

InChI key: InChIKey=ZPGZHSAOCVWZMR-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)C1=C(F)C=C(Br)C=C1

Synonyms:

• 2-Methylpropan-2-yl 4-bromo-2-fluorobenzoate
• 4-Bromo-2-fluoro-benzoic acid tert-butyl ester
• Benzoic acid, 4-bromo-2-fluoro-, 1,1-dimethylethyl ester
• Tert-Butyl 4-bromo-2-fluorobenzoate
• tert-Butyl 2-bromo-4-fluorobenzoate

tert-butyl 4-bromo-2-fluorobenzoate

CAS: 889858-12-2

Formula: C₁₁H₁₂BrFO₂

Purity: 98%

Color and Shape: Liquid

Molecular weight: 275.1142

Ref: IN-DA0036A3

tert-Butyl 4-bromo-2-fluorobenzoate

CAS: 889858-12-2

tert-Butyl 4-bromo-2-fluorobenzoate

Purity: 98%

Molecular weight: 275.11g/mol

Ref: 54-PC32732

tert-Butyl 4-bromo-2-fluorobenzoate

CAS: 889858-12-2

Formula: C₁₁H₁₂BrFO₂

Purity: 98%

Color and Shape: Liquid, No data available.

Molecular weight: 275.117

Ref: 10-F318125

tert-Butyl 4-Bromo-2-fluorobenzoate

Controlled Product

CAS: 889858-12-2

Applications tert-Butyl 4-Bromo-2-fluorobenzoate is an intermediate of enzalutamide (M199800). Enzalutamide is an androgen-receptor antagonist that blocks androgens from binding to the androgen receptor and prevents nuclear translocation and co-activator recruitment of the ligand-receptor complex. MDV 3100 has also been shown to induce tumor cell apoptosis, and has no agonist activity. MDV 3100 is a candidate for the treatment of castration-resistant prostate cancer.
References Scher, H.I. et al.: Lancet, 375, 1437 (2010); Bellmunt, J. et al.: Ther. Adv. Med. Oncol., 2, 189 (2010); Ryan, C.J. et al.: J. Clin. Oncol., 29, 3651 (2011);

Formula: C₁₁H₁₂BrFO₂

Color and Shape: Neat

Molecular weight: 275.11

Ref: TR-B682025

Tert-butyl 4-bromo-2-fluorobenzoate

Controlled Product

CAS: 889858-12-2

Tert-butyl 4-bromo-2-fluorobenzoate is a synthetic chemical compound that has been shown to inhibit the growth of tumor cells. It has shown good pharmacokinetic properties, with a half life of around three hours, and it can be detected in urine for up to two days after administration. Tert-butyl 4-bromo-2-fluorobenzoate is an inhibitor of the enzyme abt-199, which is involved in cell death. It also has antiapoptotic effects on platelets.

Formula: C₁₁H₁₂BrFO₂

Purity: Min. 95%

Molecular weight: 275.11 g/mol

Ref: 3D-FB106105