5438-22-2

Basic information

• Product Name: 3-(ETHOXYCARBONYL)-4,4-DIPHENYL-3-BUTENOIC ACID
• Synonyms: 3-(ETHOXYCARBONYL)-4,4-DIPHENYL-3-BUTENOIC ACID
• CAS NO: 5438-22-2
• Molecular Formula: C₁₉H₁₈O₄
• Molecular Weight: 310.34
• Mol File: 5438-22-2.mol
• Article Data: 6

Chemical Properties

• Melting Point: 128-130°C
• Boiling Point: 459.7°Cat760mmHg
• Flash Point: 162.9°C
• Appearance: /
• Density: 1.189g/cm³
• Vapor Pressure: 3.02E-09mmHg at 25°C
• Refractive Index: 1.58
• CAS DataBase Reference: 3-(ETHOXYCARBONYL)-4,4-DIPHENYL-3-BUTENOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(ETHOXYCARBONYL)-4,4-DIPHENYL-3-BUTENOIC ACID(5438-22-2)
• EPA Substance Registry System: 3-(ETHOXYCARBONYL)-4,4-DIPHENYL-3-BUTENOIC ACID(5438-22-2)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 5438-22-2(Hazardous Substances Data)

Usage

General Description

The chemical 3-(ethoxycarbonyl)-4,4-diphenyl-3-butenoic acid is a compound with the molecular formula C21H20O4. It is a member of the butenoic acid family and contains a butenoic acid core with two phenyl rings and an ethoxycarbonyl group attached. 3-(ETHOXYCARBONYL)-4,4-DIPHENYL-3-BUTENOIC ACID is used as a building block in organic synthesis and is commonly employed in the production of various pharmaceuticals and fine chemicals. It has a wide range of applications in the field of medicinal chemistry, drug discovery, and material science, making it an important chemical in the industry.

InChI:InChI=1/C19H18O4/c1-2-23-19(22)16(13-17(20)21)18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,20,21)

Upstream product

• 119-61-9 benzophenone 
• 865-47-4 potassium tert-butylate 
• 75-65-0 tert-butyl alcohol 
• 123-25-1 succinic acid diethyl ester 
• 64-17-5 ethanol 
• 157494-69-4 methyl 3-ethoxycarbonyl-4,4-diphenyl-3-butenoate 

Downstream Products

• 7746-94-3 5,5-diphenyldihydrofuran-2(3H)-one 
• 7498-88-6 4,4-diphenylbut-3-enoic acid 
• 47126-79-4 2-benzhydryl succinic acid 
• 23242-87-7 3-bromo-5-oxo-2,2-diphenyl-tetrahydro-furan-3-carboxylic acid ethyl ester 
• 78250-28-9 ethyl 4-acetoxy-1-phenyl-2-naphthoate 
• 6938-64-3 diethyl diphenylmethylenesuccinate 
• 65127-36-8 ethyl 2-(bromomethyl)-3,3-diphenylacrylate 
• 78250-27-8 1-phenyl-4-hydroxy-2-naphthoic acid 
• 1360825-96-2 ethyl 2-(chloromethyl)-3,3-diphenylacrylate 
• 97043-21-5 dimethyl 2-benzhydrylsuccinate 
• 77060-88-9 exo-5,6-diphenyl-3-oxabicyclo<3.1.0>hexan-2-one 
• 77060-88-9 endo-5,6-diphenyl-3-oxabicyclo<3.1.0>hexan-2-one 
• 143747-49-3 1-<2-(2,2-diphenylcyclopropyl)ethyl>-3-piperidinecarboxylic acid 
• 1026733-97-0 Methanesulfonic acid 2-(2,2-diphenyl-cyclopropyl)-ethyl ester 

Relevant articles and documents

Benzophenone substituted fulgide photochromic compound and preparation method thereof

The invention discloses a benzophenone substituted fulgide photochromic compound and a preparation method thereof. According to the preparation method, diethyl succinate is used as a core skeleton, 4-pyridine methylene is grafted to the 2-position of diet

Inhibition of activated STAT5 in Bcr/Abl expressing leukemia cells with new pimozide derivatives

STATs are transcription factors acting as intracellular signaling after stimulation with cytokines, growth factors and hormones. STAT5 is also constitutively active in many forms of cancers, including chronic myelogenous leukemia, acute lymphoblastic leukemia and Hodgkin's lymphoma. Recently, literature reported that the neuroleptic drug pimozide inhibits STAT5 phosphorylation inducing apoptosis in CML cells. We undertook an investigation from pimozide structure, obtaining simple derivatives with cytotoxic and STAT5-inhibitory activity, two of them markedly more potent than pimozide.

Novel Regioselective Ester Hydrolysis by Pig-Liver Esterase

Pig-liver esterase, which catalyzed the hydrolysis of substrates containing both saturated and αβ-unsaturated/cyclopropanecarboxylic esters (methyl and ethyl), was studied. An exclusive hydrolysis of the saturated esters was observed. Kinetic experiments revealed that the presence of deactivated carbonyl in the unsaturated/cyclopropanecarboxylic esters and their weaker bindings are both responsible for the observed specificity. The relative binding abilities of the substrates have been explained in light of Jones active-site model. The regioselectivity has been exploited in the synthesis of intermediates for the thromboxane synthetase inhibitor.