14034-08-3

Basic information

• Product Name: methyl 3-bromo-4-tert-butylbenzoate
• Synonyms: methyl 3-bromo-4-tert-butylbenzoate
• CAS NO: 14034-08-3
• Molecular Formula: C₁₂H₁₅BrO₂
• Molecular Weight: 271.1503
• Mol File: 14034-08-3.mol

Chemical Properties

• Melting Point: 113-115 °C
• Boiling Point: 304.077°C at 760 mmHg
• Flash Point: 137.701°C
• Appearance: /
• Density: 1.29g/cm³
• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.522
• CAS DataBase Reference: methyl 3-bromo-4-tert-butylbenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 3-bromo-4-tert-butylbenzoate(14034-08-3)
• EPA Substance Registry System: methyl 3-bromo-4-tert-butylbenzoate(14034-08-3)

Safety Data

• Hazardous Substances Data: 14034-08-3(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
Methyl 3-bromo-4-tert-butylbenzoate is used as a building block for the synthesis of various biologically active compounds, leveraging its structural characteristics and reactivity to form diverse chemical bonds.
Used in Pharmaceutical Research:
In the pharmaceutical industry, Methyl 3-bromo-4-tert-butylbenzoate is utilized as an intermediate in the production of esters and other organic compounds, contributing to the development of new drugs and therapeutic agents.
Used in Medicinal Chemistry and Drug Discovery:
Methyl 3-bromo-4-tert-butylbenzoate is employed as a starting material for the synthesis of complex and diverse molecular structures, playing a crucial role in advancing the field of medicinal chemistry and drug discovery.

InChI:InChI=1/C12H15BrO2/c1-12(2,3)9-6-5-8(7-10(9)13)11(14)15-4/h5-7H,1-4H3

Upstream product

• 67-56-1 methanol 
• 38473-89-1 3-bromo-4-(tert-butyl)benzoic acid 
• 74-88-4 methyl iodide 
• 98-73-7 4-(1,1-dimethylethyl)benzoic acid 

Downstream Products

• 14034-09-4 3-Brom-4-t.butyl-α,α-dimethyl-benzylalkohol 
• 129167-72-2 3-bromo-4-t-butylbenzyl alcohol 
• 1011531-55-7 methyl 4-tert-butyl-3-(prop-1-en-2-yl)benzoate 
• 129167-75-5 3,4-di-t-butylbenzoic acid 
• 129167-73-3 3-bromo-4-(tert-butyl)benzaldehyde 
• 103391-77-1 3,4-di-t-butyltoluene 
• 129167-74-4 2-bromo-1-(tert-butyl)-4-methylbenzene 
• 98-51-1 4-tert-butyltoluene 
• 88-60-8 2-tert-Butyl-5-methylphenol 
• 1073545-25-1 (4S)-3-((3S)-3-(4-(((6-(1,1-dimethylethyl)-2'-fluoro-5'-(methyloxy)-1,1'-biphenyl-3-yl)methyl)oxy)phenyl)-3-(3-isoxazolyl)propanoyl)-4-(phenylmethyl)-1,3-oxazolidin-2-one 
• 1073546-35-6 ethyl (3S,4E)-3-(4-(((6-(1,1-dimethylethyl)-2'-fluoro-5'-(methyloxy)-1,1'-biphenyl-3-yl)methyl)oxy)-2-methylphenyl)-4-hexenoate 
• 1073546-94-7 ethyl (3S)-3-(4-(((6-(1,1-dimethylethyl)-2'-fluoro-5'-(methyloxy)-1,1'-biphenyl-3-yl)methyl)oxy)phenyl)-3-phenylpropanoate 
• 1073546-86-7 ethyl (3R)-3-(4-(((6-(1,1-dimethylethyl)-2'-fluoro-5'-(methyloxy)-1,1'-biphenyl-3-yl)methyl)oxy)phenyl)-3-phenylpropanoate 
• 1073545-75-1 ethyl (3S,4E)-3-(4-(((6-(1,1-dimethylethyl)-2'-fluoro-5'-(methyloxy)-1,1'-biphenyl-3-yl)methyl)oxy)phenyl)-4-heptenoate 

Relevant articles and documents

PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS

The present invention relates to a compound of formula (I), or a pharmaceutically acceptable salt or hydrate thereof, wherein: the group X-Y is -NHSO2- or -SO2NH-; Z is a monocyclic aryl or heteroaryl group, each of which is optionally substituted by one ormore substituents selected from alkyl, cycloalkyl, halo, alkoxy, CN, haloalkyl and OH; R1 is H or alkyl; R2 is selected from COOH and a tetrazolyl group; R3 is selected from H, C land alkyl; R4 is selected from H and halo; R5 is selected from H, alkyl, haloalkyl, SO2-alkyl,Cl, alkoxy, OH, CN, hydroxyalkyl, alkylthio, heteroaryl, cycloalkyl, heterocycloalkyl andhaloalkoxy; R6 is H; R7 is selected from H, CN, haloalkyl, halo, SO2-alkyl,SO2NR12R13, heteroaryl, CONR10R11 and alkyl, wherein said heteroaryl group is optionallysubstituted by one or more substituents selected from alkyl, halo, alkoxy, CN, haloalkyl and OH; R8 is selected from H, alkyl, haloalkyl and halo; and R9 is H, alkyl or halo; R10 and R11 are each independently H or alkyl; and R12 and R13 are each independently H or alkyl. Further aspects of the invention relate to such compounds for use in the field of immuno- oncology and related applications. Another aspect of the invention relates to compounds of formulae (la) and (lb).

Pd-Catalyzed C(sp3)-H Functionalization/Carbenoid Insertion: All-Carbon Quaternary Centers via Multiple C-C Bond Formation

A Pd-catalyzed C(sp3)-H functionalization/carbenoid insertion is described. The method allows for the rapid synthesis of bicyclic frameworks, generating all-carbon quaternary centers via multiple C-C bond formations in a straightforward manner.

The Synthesis and Structure of 3,4-Di-t-butylbenzoic Acid

3,4-Di-t-butylbenzoic acid (1) was synthesized by a seven-step sequence from 4-t-butylbenzoic acid, and its structure was determined by X-ray diffraction and refined to a residual of 0.065 for 1403 independent observed reflections.The crystals are triclinic, P1, a 6.080(1), b 8.777(1), c 13.912(3) Angstroem, α 80.76(2), β 80.84(2), γ 75.62(2)deg.It is the only example of a simple ortho-di-t-butylbenzene whose structure has been determined.The benzene ring experiences some out-of-plane distortion but, in general, strain is relieved by in-plane bond stretching and angular distortions.