20651-69-8

Basic information

• Product Name: METHYL 4-BUTYLBENZOATE
• Synonyms: METHYL 4-BUTYLBENZOATE;RARECHEM AL BF 0288;Benzoic acid, 4-butyl-, methyl ester;METHYL 4-N-BUTYLBENZOATE;4-Butylbenzoic acid methyl ester
• CAS NO: 20651-69-8
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.25
• EINECS: 243-939-3
• Mol File: 20651-69-8.mol
• Article Data: 26

Chemical Properties

• Boiling Point: 274.4 °C at 760 mmHg
• Flash Point: 121.2 °C
• Appearance: /
• Density: 0.995 g/cm³
• Vapor Pressure: 0.00543mmHg at 25°C
• Refractive Index: 1.5
• CAS DataBase Reference: METHYL 4-BUTYLBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 4-BUTYLBENZOATE(20651-69-8)
• EPA Substance Registry System: METHYL 4-BUTYLBENZOATE(20651-69-8)

Safety Data

• Hazardous Substances Data: 20651-69-8(Hazardous Substances Data)

Usage

Uses

Methyl 4-Butylbenzoate is used in the preparation and antifungal activity of substituted heterocyclic fluconazole analogs.

InChI:InChI=1/C12H16O2/c1-3-4-5-10-6-8-11(9-7-10)12(13)14-2/h6-9H,3-5H2,1-2H3

Upstream product

• 6638-68-2 4,5-dimethyl-2-phenyl-1,3,2-dioxaborolane 
• 51207-43-3 methyl 4-(tosyloxy)benzoate 
• 161497-18-3 methyl 4-(methanesulfonyloxy)benzoate 
• 15499-27-1 4-n-butylchlorobenzene 
• 124-38-9 carbon dioxide 
• 18107-18-1 diazomethyl-trimethyl-silane 
• 20651-71-2 4-butyl benzoic acid 
• 619-42-1 4-methoxycarbonylphenyl bromide 
• 42930-39-2 n-butylzinc chloride 
• 67-56-1 methanol 
• 79887-09-5 (4-butylphenyl)acetylene 
• 67-68-5 dimethyl sulfoxide 
• 51934-41-9 4-iodobenzoic acid ethyl ester 
• 1119-90-0 di-n-butylzinc 

Downstream Products

• 1595-05-7 p-butyltoluene 
• 80361-60-0 methyl ester of trans 4-butylcyclohexanecarboxylic acid 
• 80361-47-3 methyl ester of cis 4-butylcyclohexanecarboxylic acid 
• 1452784-08-5 C₁₂H₁₄N₂OS 
• 1452784-18-7 C₁₅H₁₆N₂OS 
• 1452784-01-8 C₂₆H₂₆F₂N₈O₂S 
• 160505-17-9 methyl 4-(1-bromobutyl)benzoate 
• 1499949-66-4 C₁₂H₁₅N₃S 
• 314753-72-5 C₁₂H₁₇N₃OS 
• 935559-50-5 4-butyl-N’-((5-nitrofuran-2-yl)methylene)benzohydrazide 
• 1449763-69-2 3-acetyl-5-(4-n-butyl-phenyl)-2-(5-nitrofuran-2-yl)-2,3-dihydro-1,3,4-oxadiazole 
• 1620-30-0 diphenyl(pyridin-4-yl)methanol 

Relevant articles and documents

A Path to More Sustainable Catalysis: The Critical Role of LiBr in Avoiding Catalyst Death and its Impact on Cross-Coupling

The role that LiBr plays in the lifetime of Pd-NHC complexes has been investigated. A bromide ion is proposed to coordinate to Pd thereby preventing beta hydride elimination (BHE) (to form NHC-H+) of the reductive elimination (RE) intermediate that normally completes with the desired cross-coupling catalytic cycle. Coordinating groups, such as anilines, are able to bind suitably well to Pd to prevent this pathway from occurring, thus reducing the need for the added salt. The metal hydride formed from BHE is very unstable and RE of the hydride to the NHC ligand occurs very rapidly giving rise to the corresponding hydrido-NHC (i.e., NHC-H+). The use of the per deuterated dibutylzinc shows a significant deuterium isotope effect, shutting down catalyst death almost completely. The use of bis-neopentylzinc, now possessing no hydrides, eliminates catalyst death all together leading to a very long-lived catalytic cycle and confirming the untoward role of BHE.

INDOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS

The present invention is directed to indole derivatives, pharmaceutical compositions containing them and their use in the treatment and/or prevention of disorders and conditions ameliorated by antagonizing one or more glucagon receptors, including for example metabolic diseases such as Type II diabetes mellitus and obesity.

Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides

A new class of aryl-heteroarylphosphines, 3-arylbenzofuran-2-ylphosphines, was synthesized by [Cp?Rh(III)]-catalyzed redox-neutral cyclization of N-phenoxyacetamides with 1-alkynylphosphine sulfides and oxides followed by reduction. This step-economic reaction proceeds in excellent regioselectivity with a broad substrate scope. The application of the resulting air-stable trivalent-phosphine containing dicyclohexylphosphino moiety in palladium-catalyzed Suzuki-Miyaura coupling and Buchwald-Hartwig amination of aryl chlorides is also described.