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3-(3,5-Dichlorophenyl)-3-oxo-propionic acid ethyl ester, also known as ethyl 3-(3,5-dichlorophenyl)-3-oxopropanoate, is a chemical compound characterized by its molecular formula C11H10Cl2O3. It is an ester derived from 3-(3,5-dichlorophenyl)-3-oxo-propionic acid, typically appearing as a white to light yellow crystalline solid. 3-(3,5-Dichlorophenyl)-3-oxo-propionic acid ethyl ester is soluble in organic solvents such as ethanol and acetone, and is widely recognized for its utility as a building block in the synthesis of pharmaceuticals and agrochemicals. Its ability to introduce the 3-(3,5-dichlorophenyl)-3-oxo-propionic acid moiety into various molecules makes it a valuable reagent in organic synthesis for further functionalization.

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  • 172168-01-3 Structure
  • Basic information

    1. Product Name: 3-(3,5-DICHLOROPHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
    2. Synonyms: ETHYL (3,5-DICHLOROBENZOYL)ACETATE;3-(3,5-DICHLOROPHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER;ETHYL 3-(3,5-DICHLOROPHENYL)-3-OXOPROPANOATE;Benzenepropanoic acid, 3,5-dichloro-b-oxo-, ethyl ester;3-(3,5-Dichlorophenyl)-3-oxo-propionic acid ethyl este
    3. CAS NO:172168-01-3
    4. Molecular Formula: C11H10Cl2O3
    5. Molecular Weight: 261.1
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 172168-01-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 3-(3,5-DICHLOROPHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3-(3,5-DICHLOROPHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER(172168-01-3)
    11. EPA Substance Registry System: 3-(3,5-DICHLOROPHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER(172168-01-3)
  • 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: 172168-01-3(Hazardous Substances Data)

172168-01-3 Usage

Uses

Used in Pharmaceutical Synthesis:
3-(3,5-Dichlorophenyl)-3-oxo-propionic acid ethyl ester is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its incorporation into drug molecules can enhance their therapeutic properties, such as potency, selectivity, and bioavailability.
Used in Agrochemical Production:
In the agrochemical industry, 3-(3,5-Dichlorophenyl)-3-oxo-propionic acid ethyl ester serves as a crucial building block for the development of new pesticides and herbicides. Its chemical structure contributes to the effectiveness of these products in controlling pests and weeds, thereby increasing crop yields and protecting agricultural investments.
Used as a Reagent in Organic Synthesis:
3-(3,5-Dichlorophenyl)-3-oxo-propionic acid ethyl ester is utilized as a reagent in organic synthesis to introduce the desired 3-(3,5-dichlorophenyl)-3-oxo-propionic acid functional group into target molecules. This allows for the creation of a diverse range of organic compounds with specific properties and applications in various fields, including materials science, medicinal chemistry, and specialty chemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 172168-01-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,2,1,6 and 8 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 172168-01:
(8*1)+(7*7)+(6*2)+(5*1)+(4*6)+(3*8)+(2*0)+(1*1)=123
123 % 10 = 3
So 172168-01-3 is a valid CAS Registry Number.

172168-01-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl 3-(3,5-dichlorophenyl)-3-oxopropanoate

1.2 Other means of identification

Product number -
Other names ethyl 3-(3,5-dichlorophenyl)-3-oxopropanoate

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:172168-01-3 SDS

172168-01-3Relevant articles and documents

Design, synthesis, structure-activity relationships, and docking studies of pyrazole-containing derivatives as a novel series of potent glucagon receptor antagonists

Shu, Shuangjie,Cai, Xiaoqing,Li, Jia,Feng, Yang,Dai, Antao,Wang, Jiang,Yang, Dehua,Wang, Ming-Wei,Liu, Hong

, p. 2852 - 2863 (2016/06/08)

Glucagon receptor antagonists possess a great potential for treatment of type 2 diabetes mellitus. A series of pyrazole-containing derivatives were designed, synthesized and evaluated by biological assays as glucagon receptor antagonists. Most of the compounds exhibited good in vitro efficacy. Two of them, compounds 17f and 17k, displayed relatively potent antagonist effects on glucagon receptors with IC50 values of 3.9 and 3.6 μM, respectively. The possible binding modes of 17f and 17k with the cognate receptor were explored by molecular docking simulation.

Thrombin receptor antagonists

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, (2008/06/13)

A thrombin receptor antagonist having the formula useful for inhibiting the aggregation of blood platelets. The compounds can be used in a method of acting upon a thrombin receptor which comprises administering a therapeutically effective but non-toxic am

Synthesis and pharmacological evaluation of a new series of substituted benzoyl-γ-butyrolactone derivatives

Cignarella, G.,Barlocco, D.,Pocar, D.,Clerici, F.,Curzu, M. M.,et al.

, p. 721 - 726 (2007/10/03)

A series of substituted benzoyl-γ-butyrolactones (1-3) has been synthesized and tested for their ability to affect central dopaminergic and GABAergic function in comparison to γ-butyrolactone (GBL).Similarly to GBL, α-, β- and γ-substituted GBLs 1-3 with one or more chlorine on the phenyl ring were found to induce central depressant effects in rats, though at different degrees.However, the test compounds modified dopamine (DA) metabolism in rat striatum differently from GBL.In fact, whereas GBL increased both DA and dihydroxyphenylacetic acid (DOPAC) content, GBL derivatives 1-3 increased DA levels, but reduced the DOPAC concentration.Moreover, some of them, unlike GBL, effectively antagonized pentylenetetrazole (PTZ)-induced seizures in mice.In particular, α-3,5-dichlorobenzoyl-GBL (1g) was effective at a dose as low a 36 mg/kg in decressing the number of animals having convulsions.However, in vitro addition and in vivo administration of the test compounds failed to modify -t-butylbicyclophosphorothionate (-TBPS) binding, which is a very sensitive tool for revealing changes in the GABAergic function. γ-butyrolactone / benzoyl-γ-butyrolactone / dopamine / anticonvulsant effect

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