99548-55-7

Basic information

• Product Name: BENZOIC ACID,4-BROMO-2-METHYL-,METHYL ESTER
• Synonyms: BENZOIC ACID,4-BROMO-2-METHYL-,METHYL ESTER;4-BroMo-2-Methyl-benzoic acid Methyl ester;2- Methyl-4-broMo benzoic acidMethyl ester
• CAS NO: 99548-55-7
• Molecular Formula: C₉H₉BrO₂
• Molecular Weight: 229.08
• Mol File: 99548-55-7.mol
• Article Data: 91

Chemical Properties

• Melting Point: 9 °C
• Boiling Point: 273.627 °C at 760 mmHg
• Flash Point: 119.286 °C
• Appearance: /
• Density: 1.434 g/cm³
• Vapor Pressure: 0.006mmHg at 25°C
• Refractive Index: 1.545
• Storage Temp.: 2-8°C
• CAS DataBase Reference: BENZOIC ACID,4-BROMO-2-METHYL-,METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: BENZOIC ACID,4-BROMO-2-METHYL-,METHYL ESTER(99548-55-7)
• EPA Substance Registry System: BENZOIC ACID,4-BROMO-2-METHYL-,METHYL ESTER(99548-55-7)

Safety Data

• Hazardous Substances Data: 99548-55-7(Hazardous Substances Data)

Usage

Chemical Properties

off-white powder

InChI:InChI=1/C9H9BrO2/c1-6-5-7(10)3-4-8(6)9(11)12-2/h3-5H,1-2H3

Upstream product

• 67-56-1 methanol 
• 68837-59-2 4-bromo-2-methylbenzoic acid 
• 18107-18-1 diazomethyl-trimethyl-silane 
• 74-88-4 methyl iodide 
• 21900-45-8 4-bromo-2-methylbenzoyl chloride 
• 77-78-1 dimethyl sulfate 
• 67832-11-5 4-bromo-2-methylbenzonitrile 

Downstream Products

• 856167-33-4 4-bromo-2-methylbenzohydrazide 
• 190367-35-2 4-Cyclohexyl-2-methyl-benzoic acid methyl ester 
• 190367-36-3 methyl 4-cyclobutyl-2-methylbenzoate 
• 190367-34-1 2-Methyl-4-propyl-benzoic acid methyl ester 
• 190367-32-9 4-isopropyl-2-methylbenzoic acid methyl ester 
• 477717-00-3 methyl 4-(2'-tert-butylaminosulfonyl)phenyl-2-methyl benzoate 
• 495388-46-0 4-((E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-dec-1-enyl)-2-methyl-benzoic acid methyl ester 
• 819851-96-2 4-(benzyl-methyl-amino)-2-methyl-benzoic acid methyl ester 
• 78471-43-9 methyl 4-bromo-2-(bromomethyl)benzoate 
• 74733-23-6 methyl 4-formyl-2-methyl-benzoate 
• 1011478-16-2 3'-amino-3-methyl-biphenyl-4-carboxylic acid methyl ester 
• 1015435-34-3 4-tert-butoxycarbonylamino-2-methyl-benzoic acid methyl ester 
• 848464-88-0 (S)-3-(5-Bromo-1-oxo-1,3-dihydro-isoindol-2-yl)-pyrrolidine-1-carboxylic acid methyl-[(S)-1-(3-phenyl-propyl)-pyrrolidin-3-yl]-amide 
• 139988-46-8 diethyl 2-(S)-[5-methylamino-2,3-dihydro-1-oxo-2(1H)-isoindolyl]glutarate 

Relevant articles and documents

CC-90009: A Cereblon E3 Ligase Modulating Drug That Promotes Selective Degradation of GSPT1 for the Treatment of Acute Myeloid Leukemia

Acute myeloid leukemia (AML) is marked by significant unmet clinical need due to both poor survival and high relapse rates where long-term disease control for most patients with relapsed or refractory AML remain dismal. Inspired to bring novel therapeutic options to these patients, we envisioned protein degradation as a potential therapeutic approach for the treatment of AML. Following this course, we discovered and pioneered a novel mechanism of action which culminated in the discovery of CC-90009. CC-90009 represents a novel protein degrader and the first cereblon E3 ligase modulating drug to enter clinical development that specifically targets GSPT1 (G1 to S phase transition 1) for proteasomal degradation. This manuscript briefly summarizes the mechanism of action, scientific rationale, medicinal chemistry, pharmacokinetic properties, and efficacy data for CC-90009, which is currently in phase 1 clinical development.

Highly selective electroreductive linear dimerization of electron-deficient vinylarenes

A direct electroreductive dimerization of electron-deficient vinylarenes for the synthesis of 1,4-diarylbutane has been developed using a simple undivided cell with inexpensive carbon electrodes at room temperature. The control and deuterium-labeling experiments of electroreductive dimerization suggest that the hydrogen source comes from the solvent CH3CN. This protocol provides a mild and efficient route for the construction of C–C bond in moderate to good yields with high regioselectivity and broad substrate scope.

Preparation method of methyl 4-bromoacetyl-2-methylbenzoate

The invention provides a preparation method of methyl 4-bromoacetyl-2-methylbenzoate. The preparation method comprises the following steps: (1) dissolving 4-bromo-2-methylbenzoic acid in methanol, andperforming an esterification reaction under the catalytic action of sulfuric acid so as to produce a first intermediate compound; (2) performing a reaction between the first intermediate compound with potassium vinyl fluoroborate or vinyl boronic acid under the catalytic action of palladium so as to obtain a second intermediate compound; and (3) performing an alpha-halogenated ketone synthesis reaction on the second intermediate compound under the action of a halogenating reagent so as to obtain the methyl 4-bromoacetyl-2-methylbenzoate. The preparation method has the advantages of low raw material cost, a short route, mild reaction conditions, simple requirements for equipment and experimental conditions, large-scale amplification synthesis and a high application value.