56053-84-0

Basic information

• Product Name: butyl 2-thenoate
• Synonyms: butyl 2-thenoate;Thiophene-2-carboxylic acid butyl ester;Einecs 259-970-0
• CAS NO: 56053-84-0
• Molecular Formula: C₉H₁₂O₂S
• Molecular Weight: 184.25538
• EINECS: 259-970-0
• Mol File: 56053-84-0.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 288.22°C (rough estimate)
• Flash Point: 108°C
• Appearance: /
• Density: 1.2008 (rough estimate)
• Vapor Pressure: 0.0167mmHg at 25°C
• Refractive Index: 1.5480 (estimate)
• CAS DataBase Reference: butyl 2-thenoate(CAS DataBase Reference)
• NIST Chemistry Reference: butyl 2-thenoate(56053-84-0)
• EPA Substance Registry System: butyl 2-thenoate(56053-84-0)

Safety Data

• Hazardous Substances Data: 56053-84-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C9H12O2S/c1-2-3-6-11-9(10)8-5-4-7-12-8/h4-5,7H,2-3,6H2,1H3

Upstream product

• 121529-93-9 2-Dibutoxymethyl-thiophene 
• 527-72-0 2-thiophenylcarboxylic acid 
• 5271-67-0 2-Thiophenecarbonyl chloride 
• 71-36-3 butan-1-ol 
• 98-03-3 thiophene-2-carbaldehyde 
• 1003-09-4 2-bromothiophene 
• 201230-82-2 carbon monoxide 
• 109-65-9 1-bromo-butane 
• 2050-60-4 di-n-butyl oxalate 
• 3437-95-4 2-Iodothiophene 
• 2567-81-9 potassium 2-butoxy-2-oxoacetate 
• 63633-74-9 N-(thiophene-2-carbonyl) saccharin 
• 109-69-3 n-Butyl chloride 

Relevant articles and documents

A Straightforward Conversion of Activated Amides and Haloalkanes into Esters under Transition-Metal-Free Cs 2 CO 3 /DMAP Conditions

The esterification of activated amides, N -acylsaccharins, under transition-metal-free conditions with good functional group tolerance has been developed, resulting in C-N cleavage leading to efficient synthesis of a variety of esters in moderate to good yields. This work demonstrates that esterification may proceed by using simple N -acylsaccharins, haloalkanes, and Cs 2 CO 3 as oxygen source.

β-Nitroacrylates as Starting Materials of Thiophene-2-Carboxylates Under Continuous Flow Conditions

We report herein a general and efficient continuous flow-based protocol for synthesizing thiophene-2-carboxylates starting from ketal-functionalized β-nitroacrylates. The protocol involves (i) a promoter-free conjugate addition of thioacetic acid to β-nitroacrylates, (ii) a base-induced elimination of nitrous acid, and (iii) a final acid-promoted domino cyclization-aromatization process to afford the title targets. Thanks to the means of the flow chemistry and the use of solid supported systems, the three steps were combined in a whole flow chemical process, by which the products were isolated in good to excellent overall yields (38–88%). (Figure presented.).

Practical: In situ -generation of phosphinite ligands for palladium-catalyzed carbonylation of (hetero)aryl bromides forming esters

An effective method for alkoxycarbonylation of (hetero)aryl bromides is developed in the presence of in situ-generated phosphinite ligands tBu2POR (R = nBu, nPr, Et or Me). For this purpose commercially available tBu2PCl was used as the pre-ligand in the presence of different alcohols. For the first time cross coupling reactions with two alcohols-one generating the ligand, the other used as substrate-were developed. Through this method, ligand optimization can be performed in a more efficient manner and the desired products could be obtained with good yields and selectivity.