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
• Article Data: 4

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

General Description

Methyl 3-bromo-4-tert-butylbenzoate is a chemical compound with the formula C13H17BrO2. It is a white solid with a molecular weight of 279.18 g/mol. Methyl 3-bromo-4-tert-butylbenzoate is commonly used in organic synthesis and pharmaceutical research as a building block for the synthesis of various biologically active compounds. It is also used as an intermediate in the production of esters and other organic compounds. Methyl 3-bromo-4-tert-butylbenzoate is important in the field of medicinal chemistry and drug discovery due to its versatile reactivity and ability to form diverse chemical bonds. Its structural characteristics make it an important starting material for the synthesis of complex and diverse molecular structures.

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 
• 98-73-7 4-(1,1-dimethylethyl)benzoic acid 
• 74-88-4 methyl iodide 

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 
• 88-60-8 2-tert-Butyl-5-methylphenol 
• 98-51-1 4-tert-butyltoluene 
• 129167-74-4 2-bromo-1-(tert-butyl)-4-methylbenzene 
• 103391-77-1 3,4-di-t-butyltoluene 
• 129167-73-3 3-bromo-4-(tert-butyl)benzaldehyde 
• 129167-75-5 3,4-di-t-butylbenzoic acid 
• 14034-10-7 1-Brom-2-tert-butyl-5-isopropyl-benzol 
• 14034-11-8 5-Isopropyl-2-tert.-butyl-benzoesaeure 
• 1073545-16-0 methyl 3-(4-(((6-(1,1-dimethylethyl)-2'-fluoro-5'-(methyloxy)-1,1'-biphenyl-3-yl)methyl)oxy)phenyl)propanoate 
• 1073543-63-1 3-(4-(((6-(1,1-dimethylethyl)-2'-fluoro-5'-(methyloxy)-1,1'-biphenyl-3-yl)methyl)oxy)phenyl)propanoic acid 
• 1073543-80-2 3-(4-(3-[2-fluoro-5-methoxyphenyl]-4-tert-butylbenzyloxy)phenyl)-2-methylpropanoic acid 

Relevant articles and documents

COMPOUNDS

The present invention relates to a compound of formula (Ia), or a pharmaceutically acceptable salt or hydrate thereof, wherein: the group X-Y is -NHSO2- or -SO2NH-; R1 is H or alkyl; R2 is selected from COOH and a tetrazolyl group; R3 is selected from H, Cl and alkyl; R4 is selected from H, Cl and F; R5 is selected from H, alkyl, alkynyl, alkenyl, haloalkyl, SO2-alkyl, Cl, alkoxy, OH, CN, hydroxyalkyl, alkylthio, heteroaryl, cycloalkyl, heterocycloalkyl and haloalkoxy; R6 is H; R7 is selected from H, CN, haloalkyl, Cl, F, SO2-alkyl, SO2NR13R14, optionally substituted heteroaryl and alkyl; R8 is selected from H, alkyl, haloalkyl and halo; R9 is H, C1-C3-alkyl, or halo; R10 and R11, together with the nitrogen to which they are attached, form an azepanyl group, wherein (a) said azepanyl group is substituted by one or more substituents, or (b) one or two carbons in said azepanyl group are replaced by a group selected from O, NH, S and CO, and said azepanyl group is optionally further substituted; or R10 and R11, together with the nitrogen to which they are attached, form an azetidinyl, pyrrolidinyl or piperidinyl group wherein (a) said azetidinyl, pyrrolidinyl or piperidinyl group is substituted by one or more substituents, or (b) one or two carbons in said azetidinyl, pyrrolidinyl or piperidinyl group are replaced by a group selected from NH, S and CO; or R10 and R11, together with the nitrogen to which they are attached, form an 8, 9 or 10-membered bicyclic heterocycloalkyl group, wherein one or two carbons in the bicyclic heterocycloalkyl ring are optionally replaced by a group selected from O, NH, S and CO, and said bicyclic heterocycloalkyl group is optionally substituted; or R10 and R11, together with the nitrogen to which they are attached, form a 6 to 12-membered bicyclic group containing a spirocyclic carbon atom, wherein one or two carbons in the bicyclic group are optionally replaced by a group selected from O, NH, S and CO, and said bicyclic group is optionally substituted, or said bicyclic group is optionally fused to a 5 or 6-membered aryl or heteroaryl group; R13 and R14 are each independently H or alkyl. Further aspects of the invention relate to such compounds for use in the field of immune-oncology and related applications.

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.