619-20-5

Basic information

• Product Name: 3-ETHYLBENZOIC ACID
• Synonyms: RARECHEM AL BO 1547;3-ETHYLBENZOIC ACID;M-ETHYLBENZOIC ACID;Benzoic acid, 3-ethyl-;Benzoic acid, 3-ethyl- (9CI)
• CAS NO: 619-20-5
• Molecular Formula: C₉H₁₀O₂
• Molecular Weight: 150.17
• Product Categories: CARBOXYLICACID
• Mol File: 619-20-5.mol
• Article Data: 16

Chemical Properties

• Melting Point: 47°C
• Boiling Point: 271.51°C (estimate)
• Flash Point: 128.5°C
• Appearance: /
• Density: 1,042 g/cm3
• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: 1.5345
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 4.27±0.10(Predicted)
• CAS DataBase Reference: 3-ETHYLBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-ETHYLBENZOIC ACID(619-20-5)
• EPA Substance Registry System: 3-ETHYLBENZOIC ACID(619-20-5)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 619-20-5(Hazardous Substances Data)

Usage

Description

3-Ethylbenzoic acid, also known as methylphenylacetate, is an organic compound belonging to the class of benzoic acids. It is characterized by the presence of a benzene ring with an ethyl group at the 3rd position and a carboxyl group at the 1st position. 3-ETHYLBENZOIC ACID is known for its versatile chemical properties and is widely utilized in various industries due to its unique structural features.

Uses

Used in Pharmaceutical Industry:
3-Ethylbenzoic acid is used as a synthetic intermediate for the preparation of bi-aryl amines. These bi-aryl amines act as M3 muscarinic acetylcholine receptor antagonists, which are crucial in the development of drugs targeting various medical conditions, such as overactive bladder, irritable bowel syndrome, and chronic obstructive pulmonary disease (COPD). 3-ETHYLBENZOIC ACID's ability to form bi-aryl amines with specific receptor antagonist properties makes it a valuable component in the pharmaceutical industry.
Used in Chemical Synthesis:
3-Ethylbenzoic acid serves as a key building block in the synthesis of various organic compounds, including dyes, fragrances, and agrochemicals. Its unique structural features allow for a range of chemical reactions, such as esterification, amidation, and halogenation, which can be exploited to produce a diverse array of products. This versatility makes 3-ethylbenzoic acid an essential component in the chemical synthesis industry.
Used in Research and Development:
Due to its unique chemical properties and potential applications, 3-ethylbenzoic acid is often utilized in research and development for the discovery of new compounds and materials. It can be employed as a starting material or a reagent in various chemical reactions, enabling scientists to explore novel synthetic pathways and develop innovative products with improved properties and applications.

InChI:InChI=1/C9H10O2/c1-2-7-4-3-5-8(6-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)

Upstream product

• 141-93-5 m-diethylbenzene 
• 124-38-9 carbon dioxide 
• 2725-82-8 1-bromo-3-ethylbenzene 
• 620-14-4 1-Methyl-3-ethylbenzene 
• 97-94-9 triethyl borane 
• 585-76-2 m-bromobenzoic acid 
• 71-43-2 benzene 
• 587-02-0 m-ethylaniline 
• 100-47-0 benzonitrile 
• 623-13-2 4-methylphenyl methylsulfide 
• 2142-63-4 1-(3-Bromophenyl)ethanone 
• 500293-87-8 3-ethylbenzamide 
• 34136-57-7 m-ethylbenzonitrile 
• 100-41-4 ethylbenzene 

Downstream Products

• 22699-70-3 3-ethylacetophenone 
• 1064205-37-3 (+/-)-6-benzyloxy-2-(3-ethylbenzyl)-7-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline 
• 1064205-39-5 (+/-)-2-(3-ethylbenzyl)-6-hydroxy-7-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline 
• 1000896-43-4 5-[(3-ethylphenyl)methoxy]-2H-pyrazol-3-amine 
• 216658-62-7 1-(bromomethyl)-3-ethylbenzene 
• 50604-00-7 methyl ester of 3-ethylbenzoic acid 
• 1064205-33-9 2-(3-ethylbenzoyl)-3-methyl-6-benzyloxy-7-methoxy-1,2,3 ,4-tetrahydroisoquinoline 
• 5437-40-1 2-amino-3-ethylbenzoic acid 
• 82657-69-0 (3-ethylphenyl)methanol 
• 71527-31-6 3-ethylbenzoyl chloride 
• 35193-44-3 3-ethyl-2-nitrobenzoic acid 

Relevant articles and documents

Palladium aminopyridine complexes catalyzed selective benzylic C-H oxidations with peracetic acid

Four palladium(ii) complexes with tripodal ligands of the tpa family (tpa = tris(2-pyridylmethyl)amine) have been synthesized and X-ray characterized. These complexes efficiently catalyze benzylic C-H oxidation of various substrates with peracetic acid, affording the corresponding ketones in high yields (up to 100%), at 1 mol% catalyst loadings. Complex [(tpa)Pd(OAc)](PF6) with the least sterically demanding ligand tpa demonstrates the highest substrate conversions and ketone selectivities. Preliminary mechanistic data provide evidence in favor of metal complex-mediated rate-limiting benzylic C-H bond cleavage by an electron-deficient oxidant.

B-Alkyl Suzuki-Miyaura cross-coupling of tri-n-alkylboranes with arylbromides bearing acidic functions under mild non-aqueous conditions

An efficient and chemoselective Pd-catalyzed B-alkyl Suzuki-Miyaura cross-coupling of tri-n-alkylboranes with arylbromides possessing acidic functions is described. This protocol features the relatively weak base Cs2CO3 and mild non-

COMPOUND

The present invention provides a compound of Formula (I) or Formula (Il) wherein A is selected from CR10R11, -S(=O)2-, -NR12-,and C=O, wherein R10 and R11 independently selected from H, -OH, hydrocarbyl, -CN, -NO2, and halogens, R12 is selected from H and hydrocarbyl; B is selected from (CR13R14)1-3, C=O, CR15R16C=O, -S(=O)2-, -NR17- and -NR18-C(=O)-, wherein each of R13, R14, R15 and R16 is independently selected from H, -OH, hydrocarbyl, -CN, -NO2, and halogens, R17 and R18 are independently selected from H and hydrocarbyl; R1 is selected from OH, O-hydrocarbyl, O-heterohydrocarbyl, -SO2-hydrocarbyl, -CH=CH2, halogen, -OSO2NR19R20, -C(=O)-NR21R22, -NR23-C(=O)H and -NR35R36; wherein each of R19, R20, R21, R22, R23, R35 and R36 is independently is selected from H and hydrocarbyl; R2 is selected from H, -O-hydrocarbyl, -S-hydrocarbyl, hydrocarbyl, -CN, -NO2, and halogens, R3 is selected from Formula (A), Formula (B), Formula (C), Formula (D) wherein each of R4, R5, R6, R7 and R8 is independently selected from H, -OH, hydrocarbyl, -O-hydrocarbyl, -COOH or an ester thereof, halocarbyl, -O-halocarbyl, acyl, -O-acyl, -NR29-acyl, -O-SO2NR19R20, -NR30R31, -NR32SO2R33, -CN, -NO2, and halogens, R9 is selected from H and hydrocarbyl, and each R29 to R33 is independently selected from H and hydrocarbyl; and wherein two or more of R4, R5, R6, R7, R8 and R9 may together form a ring; wherein when R1 is OH and R3 is of Formula (D), (i) at least one of R4, R5, R6, R7 and R8 is independently selected from halocarbyl, -O-halocarbyl, -O-acyl, -NR29-acyl, -O- SO2NR19R20, -NR30R31, -NR32SO2R33, -CN, and halogens, or (ii) two or more of R4, R5, R6, R7 and R8 together form a ring, or (iii) at least three of R4, R5, R6, R7 and R8 are independently selected from -OH, hydrocarbyl, -O-hydrocarbyl, halocarbyl, -O-halocarbyl, -O-acyl, -NR29-acyl, -O-SO2NR19R20, -NR30R31, -NR32SO2R33, -CN, -NO2, and halogens; wherein h is an optional bond, wherein G is CR24R25, wherein R24 and R25 independently selected from H, -OH, hydrocarbyl, -CN, -NO2, and halogens, or wherein when h is present G is CR24, wherein R24 is selected from H, -OH, hydrocarbyl, -CN, -NO2, and halogens; n is 0, 1 or 2, each D is independently selected from O, NR26 and CR27R28, wherein each R26 is independently selected from H and hydrocarbyl; and each R27 and R28 is independently selected from H, -OH, hydrocarbyl, -CN, -NO2, and halogens.