20608-91-7

Basic information

• Product Name: METHYL 4-(3-THIENYL)BENZOATE
• Synonyms: AKOS BAR-0362;4-(THIOPHEN-3-YL)BENZOIC ACID METHYL ESTER;METHYL 4-(3-THIENYL)BENZOATE;METHYL 4-(THIOPHEN-3-YL)BENZOATE;RARECHEM AL BF 1418;SALOR-INT L300640-1EA;Methyl 4-(thien-3-yl)benzoate
• CAS NO: 20608-91-7
• Molecular Formula: C₁₂H₁₀O₂S
• Molecular Weight: 218.27
• Product Categories: Heterocyclic Compounds
• Mol File: 20608-91-7.mol
• Article Data: 2

Chemical Properties

• Melting Point: 160-164 °C(lit.)
• Boiling Point: 310.8°Cat760mmHg
• Flash Point: 141.8°C
• Appearance: /
• Density: 1.198g/cm³
• Vapor Pressure: 0.000585mmHg at 25°C
• Refractive Index: 1.584
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• CAS DataBase Reference: METHYL 4-(3-THIENYL)BENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 4-(3-THIENYL)BENZOATE(20608-91-7)
• EPA Substance Registry System: METHYL 4-(3-THIENYL)BENZOATE(20608-91-7)

Safety Data

• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39
• WGK Germany: 3
• Hazardous Substances Data: 20608-91-7(Hazardous Substances Data)

Usage

General Description

Methyl 4-(3-thienyl)benzoate is a chemical compound with the molecular formula C14H12O2. It is a derivative of benzoic acid, with a methyl group attached to the fourth carbon and a thienyl group attached to the third carbon of the benzene ring. METHYL 4-(3-THIENYL)BENZOATE is commonly used in the production of fragrances, flavorings, and pharmaceuticals. It has a sweet, floral odor and is often used as a fragrance ingredient in perfumes and personal care products. Methyl 4-(3-thienyl)benzoate is also studied for its potential pharmacological properties, including anti-inflammatory and antioxidant effects.

InChI:InChI=1/C12H10O2S/c1-14-12(13)10-4-2-9(3-5-10)11-6-7-15-8-11/h2-8H,1H3

Upstream product

• 67-56-1 methanol 
• 6165-69-1 Thien-3-ylboronic acid 
• 619-58-9 4-iodobenzoic acid 
• 99-76-3 methyl 4-hydroxylbenzoate 
• 905966-46-3 5,5-dimethyl-2-(thiophen-3-yl)-1,3,2-dioxaborinane 
• 161497-18-3 methyl 4-(methanesulfonyloxy)benzoate 
• 338396-06-8 methyl 4-((N, N-dimethylsulfamoyl)oxy)benzoate 

Downstream Products

• 181132-79-6 4-(thiophen-3-yl)benzoic acid chloride 
• 29886-64-4 4-(thiophen-3-yl)benzoic acid 
• 1205744-79-1 [3-(4-methoxycarbonyl)phenyl-2-thienyl](phenyl)iodonium tosylate 
• 160278-20-6 3-(4-hydroxymethyl-phenyl)thiophene 

Relevant articles and documents

Ni(COD)2/PCy3 catalyzed cross-coupling of aryl and heteroaryl neopentylglycolboronates with aryl and heteroaryl mesylates and sulfamates in THF at room temperature

Reaction conditions for the Ni(COD)2/PCy3 catalyzed cross-coupling of aryl neopentylglycolboronates with aryl mesylates were developed. By using optimized reaction conditions, Ni(COD)2/PCy 3 was shown to be a versatile catalyst for the cross-coupling of a diversity of aryl neopentylglycolboronates with aryl and heteroaryl mesylates and sulfamates containing both electron-donating and electron-withdrawing substituents in their para, ortho, and meta positions in THF at room temperature. This Ni-catalyzed cross-coupling of aryl neopentylglycolboronates is also effective for the synthesis of heterobiaryls and biaryls containing electrophilic functionalities sensitive to organolithium and organomagnesium derivatives. In combination with the recently developed Nicatalyzed neopentylglycolborylation, all Ni-catalyzed routes to functional biaryls and heterobiaryls are now easily accessible (Figure presented).