158429-38-0

Basic information

• Product Name: 4-(Methoxycarbonyl)-2-methylphenylboronic acid
• Synonyms: 4-(Methoxycarbonyl)-2-methylphenylboronic acid;Benzoic acid, 4-borono-3-methyl-, 1-methyl ester
• CAS NO: 158429-38-0
• Molecular Formula: C₉H₁₁BO₄
• Molecular Weight: 193.99224
• Mol File: 158429-38-0.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 366.7±52.0 °C(Predicted)
• Appearance: /
• Density: 1.21±0.1 g/cm3(Predicted)
• Storage Temp.: Room temperature.
• PKA: 7.77±0.58(Predicted)
• CAS DataBase Reference: 4-(Methoxycarbonyl)-2-methylphenylboronic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(Methoxycarbonyl)-2-methylphenylboronic acid(158429-38-0)
• EPA Substance Registry System: 4-(Methoxycarbonyl)-2-methylphenylboronic acid(158429-38-0)

Safety Data

• Hazardous Substances Data: 158429-38-0(Hazardous Substances Data)

Usage

General Description

4-(Methoxycarbonyl)-2-methylphenylboronic acid is a chemical compound that is predominantly used in scientific research, particularly in the field of organic synthesis. It falls into the category of organoboronic acids, which offer a versatile tool in the creation of complex organic compounds. The presence of the Boronic acid (B(OH)2) functional group makes it an important compound for Suzuki-Miyaura cross coupling reactions, a popular method for creating carbon-carbon bonds in the synthesis of various substances. The 'methoxycarbonyl' and 'methylphenyl' parts of the name denote specific arrangements of atoms within the compound, marking its unique properties. It is typically available in a solid state, and must be handled with appropriate safety measures due to its potentially harmful reactivity with certain substances upon contact.

Upstream product

• 631-61-8 ammonium acetate 
• 148547-19-7 4-Bromo-3-methylbenzoic acid methyl ester 
• 73183-34-3 bis(pinacol)diborane 
• 473596-87-1 4-methoxycarbonyl-2-methylbenzeneboronic acid pinacol ester 
• 5471-81-8 methyl 4-iodo-3-methylbenzoate 
• 7697-28-1 4-bromo-3-methylbenzoic acid 
• 67-56-1 methanol 
• 158429-66-4 4-(dihydroxyboryl)-3-methylbenzoic acid 

Downstream Products

• 673456-18-3 3-bromomethyl-4-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)-benzoic acid methyl ester 
• 643091-07-0 methyl 4'-[2-[(tert-butoxycarbonyl)[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-amino]ethyl]-2-methyl-1,1'-biphenyl-4-carboxylate 
• 943917-37-1 C₃₀H₂₄ClF₃O₅S 
• 943915-95-5 methyl 2''-({(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-4'-chloro-2-methyl-4''-(trifluoromethyl)-1,1':3',1''-terphenyl-4-carboxylate 
• 1621255-34-2 methyl 3'-(2-(((4S,5R)-5-(3,5-difluorophenyl)-4-methyl-2-oxooxazolidin-3-yl)methyl)-4,4-dimethylcyclohex-1-enyl)-4'-methoxy-2-methylbiphenyl-4-carboxylate 
• 1621254-47-4 methyl 5'-(2-(((4S,5R)-5-(3,5-bis(trifluoromethyl)phenyl)-4-methyl-2-oxooxazolidin-3-yl)methyl)-4,4-dimethylcyclohex-1-enyl)-4'-methoxy-2-methyl-2'-(trifluoromethyl)biphenyl-4-carboxylate 
• 1621254-84-9 methyl 4-(4-(2-(((4S,5R)-5-(3,5-bis(trifluoromethyl)phenyl)-4-methyl-2-oxooxazolidin-3-yl)methyl)-4,4-dimethylcyclohex-1-enyl)-5-methoxypyridin-2-yl)-3-methylbenzoate 
• 1621253-99-3 methyl 3'-(2-(((4S,5R)-5-(3,5-bis(trifluoromethyl)phenyl)-4-methyl-2-oxooxazolidin-3-yl)methyl)-4,4-dimethylcyclohex-1-enyl)-4'-methoxy-2-methylbiphenyl-4-carboxylate 
• 1621255-07-9 5'-(2-(((4S,5R)-5-(3,5-bis(trifluoromethyl)phenyl)-4-methyl-2-oxooxazolidin-3-yl)methyl)-4,4-dimethylcyclohex-1-enyl)-2,2'-dimethylbiphenyl-4-carboxylic acid 

Relevant articles and documents

Straightforward installation of carbon-halogen, carbon-oxygen and carbon-carbon bonds within metal-organic frameworks (MOF) via palladium-catalysed direct C-H functionalization

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Discovery of a novel series of biphenyl benzoic acid derivatives as potent and selective human β3-adrenergic receptor agonists with good oral bioavailability. Part I

A novel class of biphenyl analogues containing a benzoic acid moiety based on lead compound 8i have been identified as potent and selective human β3 adrenergic receptor (β3-AR) agonists with good oral bioavailability and long plasma half-life. After further substituent effects were investigated at the terminal phenyl ring of lead compound 8i, we have discovered that more lipophilic substitution at the R position improved potency and selectivity. As a result of these studies, 10a and 10e were identified as the leading candidates with the best balance of potency, selectivity, and pharmacokinetic profiles. In addition, compounds 10a and 10e were evaluated to be efficacious for a carbachol-induced increase of intravesical pressure, such as an overactive bladder model in anesthetized dogs. This represents the first demonstrated result dealing with β3- AR agonists.

CETP INHIBITORS

Compounds having the structure of Formula I, including pharmaceutically acceptable salts of the compounds, are CETP inhibitors, and are useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis. The compounds have 3 cyclic groups connected by single bonds, as for example triphenyl, which are attached directly to the ring of formula I or attached at the position B.