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3-BIPHENYL-4-YL-3-OXO-PROPIONIC ACID ETHYL ESTER is a chemical compound that belongs to the ester group. It is characterized by a structural arrangement that includes a biphenyl group, an oxo group, and an ethyl ester group, which are composed of carbon, hydrogen, and oxygen atoms. 3-BIPHENYL-4-YL-3-OXO-PROPIONIC ACID ETHYL ESTER is often used in various applications such as the production of plastics, resins, and pharmaceuticals. However, there is limited publicly available information about its common uses, hazards, or safety measures, and those who handle such chemicals typically possess specific knowledge about their properties and potential risks.

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  • 57477-98-2 Structure
  • Basic information

    1. Product Name: 3-BIPHENYL-4-YL-3-OXO-PROPIONIC ACID ETHYL ESTER
    2. Synonyms: ETHYL (4-PHENYLBENZOYL)ACETATE;ETHYL 3-(4-BIPHENYL)-3-OXOPROPANOATE;3-BIPHENYL-4-YL-3-OXO-PROPIONIC ACID ETHYL ESTER;EETHYL 3-(BIPHENYL-4-YL)-3-OXOPROPANOATE;ethyl 3-(biphenyl-4-yl)-3-oxopropanoate;b-Oxo-biphenyl-4-propanoic acid ethyl ester
    3. CAS NO:57477-98-2
    4. Molecular Formula: C17H16O3
    5. Molecular Weight: 268.31
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 57477-98-2.mol
  • Chemical Properties

    1. Melting Point: 99-102 °C(Solv: ligroine (8032-32-4))
    2. Boiling Point: 391.8 °C at 760 mmHg
    3. Flash Point: 172.2 °C
    4. Appearance: /
    5. Density: 1.121 g/cm3
    6. Vapor Pressure: 2.41E-06mmHg at 25°C
    7. Refractive Index: 1.552
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 9.85±0.25(Predicted)
    11. CAS DataBase Reference: 3-BIPHENYL-4-YL-3-OXO-PROPIONIC ACID ETHYL ESTER(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-BIPHENYL-4-YL-3-OXO-PROPIONIC ACID ETHYL ESTER(57477-98-2)
    13. EPA Substance Registry System: 3-BIPHENYL-4-YL-3-OXO-PROPIONIC ACID ETHYL ESTER(57477-98-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 57477-98-2(Hazardous Substances Data)

57477-98-2 Usage

Uses

Used in Plastics Industry:
3-BIPHENYL-4-YL-3-OXO-PROPIONIC ACID ETHYL ESTER is used as a chemical intermediate for the synthesis of various types of plastics. Its unique structural features contribute to the development of plastics with specific properties, such as durability, flexibility, or heat resistance.
Used in Resins Industry:
In the resins industry, 3-BIPHENYL-4-YL-3-OXO-PROPIONIC ACID ETHYL ESTER is used as a component in the formulation of resins. Its presence in the resin composition can influence the final product's characteristics, such as adhesive properties, hardness, or resistance to environmental factors.
Used in Pharmaceutical Industry:
3-BIPHENYL-4-YL-3-OXO-PROPIONIC ACID ETHYL ESTER is used as a building block in the synthesis of pharmaceutical compounds. Its chemical structure can be manipulated to create new drug molecules with potential therapeutic applications, such as treating diseases or alleviating symptoms.

Check Digit Verification of cas no

The CAS Registry Mumber 57477-98-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,7,4,7 and 7 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 57477-98:
(7*5)+(6*7)+(5*4)+(4*7)+(3*7)+(2*9)+(1*8)=172
172 % 10 = 2
So 57477-98-2 is a valid CAS Registry Number.
InChI:InChI=1/C17H16O3/c1-2-20-17(19)12-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3

57477-98-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 3-oxo-3-(4-phenylphenyl)propanoate

1.2 Other means of identification

Product number -
Other names ethyl 4-phenylbenzoylacetate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:57477-98-2 SDS

57477-98-2Relevant articles and documents

Electrochemical Oxidative Cyclization: Synthesis of Polysubstituted Pyrrole from Enamines

Chen, Zhiwei,Shi, Guang,Tang, Wei,Sun, Jie,Wang, Wenxing

supporting information, p. 951 - 955 (2021/02/03)

A conceptually novel method for the preparation of pyrrole is described by electrochemical-oxidation-induced intermolecular annulation via enamines. In a simple undivided cell, based on a sodium acetate-facilitated, polysubstituted pyrrole derivations has been facilely synthesized under external oxidant-free condition. This electrosynthetic approach providing an environmentally benign protocol for C?C bond cross-coupling and oxidative annulation, which features unparalleled broad scope of substrates and practicality.

Iridium-Catalyzed Enantioselective and Diastereoselective Hydrogenation of Racemic β’-Keto-β-Amino Esters via Dynamic Kinetic Resolution

He, Jiayin,Huang, An,Ling, Fei,Wang, Shiliang,Wang, Yifan,Wang, Ze,Zhao, Xianghua,Zhong, Weihui

supporting information, p. 4714 - 4719 (2021/09/02)

An iridium/f-diaphos catalytic system for the enantioselective hydrogenation of α-substituted β-ketoesters via dynamic kinetic resolution is reported. The desired anti β’-hydroxy-β-amino esters were obtained in moderate to good yields (60–95%) with 72–99% ees and 91:9 to 99:1 drs. This protocol tolerates various functional groups and could be easily conducted on gram scale with lower catalyst loading (TON up to 9100). (Figure presented.).

Radical Aza-Cyclization of α-Imino-oxy Acids for Synthesis of Alkene-Containing N-Heterocycles via Dual Cobaloxime and Photoredox Catalysis

Tu, Jia-Lin,Liu, Jia-Li,Tang, Wan,Su, Ma,Liu, Feng

supporting information, p. 1222 - 1226 (2020/02/15)

Nitrogen-containing heterocycles are prevalent in both naturally and synthetically bioactive molecules. We report herein an unprecedented protocol for radical aza-cyclization of α-imino-oxy acids with pendant alkenes via synergistic photoredox and cobaloxime catalysis. With or without alkenes as the intermolecular cross-coupling partners, the transformation provides a variety of corresponding alkene-containing dihydropyrrole products in satisfactory yields. In the presence of external alkenes, the tandem reaction generates E-selective coupling products with excellent chemo- and stereoselectivity.

One pot direct synthesis of β-ketoesters via carbonylation of aryl halides using cobalt carbonyl

Baburajan, Poongavanam,Elango, Kuppanagounder P.

supporting information, p. 3525 - 3528 (2014/06/10)

A direct method for the synthesis of β-ketoesters from aryl halides (iodide, bromide) has been described by using cobalt carbonyl as carbon monoxide source in microwave irradiation. Using this protocol, a wide variety of substituted aryl halides has been successfully converted to corresponding β-ketoesters.

Access to β-keto esters by palladium-catalyzed carbonylative coupling of aryl halides with monoester potassium malonates

Korsager, Signe,Nielsen, Dennis U.,Taaning, Rolf H.,Skrydstrup, Troels

supporting information, p. 9763 - 9766 (2013/09/23)

New tricks for an old dog: The Pd-catalyzed carbonylative α-arylation of monoethyl potassium malonates with aryl bromides and reactive aryl chlorides provides a simple and direct route to aryl β-ketoesters. Because only stoichiometric amounts of carbon monoxide are employed, the method is ideal for the introduction of carbon isotopes into more complex structures. Copyright

BETA-KETOAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING SAID COMPOUNDS

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Page/Page column 70, (2008/06/13)

The invention relates to β-ketoamide compounds of general formula (I) wherein the groups and radicals A, B, b, X, Y, Z, R1, R2, R3, R5a and R5b have the designations cited in patent claim 1. The invention also relates to medicaments containing at least one inventive amide. As a result of the MCH receptor antagonistic activity, the inventive medicaments are suitable for treating metabolic disorders and/or eating disorders, especially adipositas, bulimia, anorexia, hyperphagia and diabetes.

Beta-ketoamide compounds with MCH antagonistic activity

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Page/Page column 28, (2008/06/13)

Compounds of formula I wherein the groups and residues A, B, b, X, Y, Z, R1, R2, R3, R5a and R5b have the meanings given in claim 1. The invention further relates to pharmaceutical compositions containing at least one amide according to the invention. As a result of their MCH-receptor antagonistic activity the pharmaceutical compositions according to the invention are suitable for the treatment of metabolic disorders and/or eating disorders, particularly obesity, bulimia, anorexia, hyperphagia, and diabetes.

Diaroyl(methanato)boron Difluoride Compounds as Medium-Sensitive Two-Photon Fluorescent Probes

Cogne-Laage, Emmanuelle,Allemand, Jean-Francois,Ruel, Odile,Baudin, Jean-Bernard,Croquette, Vincent,Blanchard-Desce, Mireille,Jullien, Ludovic

, p. 1445 - 1455 (2007/10/03)

This paper evaluates the use of diaroyl(methanato)boron difluoride compounds for designing efficient fluorescent probes through two-photon absorption. Three different pathways allowing for the syntheses of symmetrical and dissymmetrical molecules are reported. The stable diaroyl(methanato)-boron difluoride derivatives can be easily obtained in good yields. They exhibit a large one-photon absorption that is easily tuned in the near-UV range. Their strong fluorescence emission covers the whole visible domain. In addition to these attractive linear properties, several diaroyl(methanato)-boron difluoride derivatives possess significant cross sections for two-photon absorption. The derived structure-property relationships are promising for designing new generations of molecules relying on the diaroyl(methanato)boron difluoride backbone.

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