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3-(3,4-DIFLUOROPHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 252955-07-0 Structure
  • Basic information

    1. Product Name: 3-(3,4-DIFLUOROPHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
    2. Synonyms: ETHYL (3,4-DIFLUOROBENZOYL)ACETATE;3-(3,4-DIFLUOROPHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER;SALOR-INT L132535-1EA;3,4-DIFLUORO-BETA-OXO-BENZENEPROPANOIC ACID ETHYL ESTER;UKRORGSYN-BB BBV-237154
    3. CAS NO:252955-07-0
    4. Molecular Formula: C11H10F2O3
    5. Molecular Weight: 228.19
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 252955-07-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 89°C/0.4mm
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.251±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. PKA: 10.07±0.48(Predicted)
    10. CAS DataBase Reference: 3-(3,4-DIFLUOROPHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-(3,4-DIFLUOROPHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER(252955-07-0)
    12. EPA Substance Registry System: 3-(3,4-DIFLUOROPHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER(252955-07-0)
  • 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: 252955-07-0(Hazardous Substances Data)

252955-07-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 252955-07-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,5,2,9,5 and 5 respectively; the second part has 2 digits, 0 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 252955-07:
(8*2)+(7*5)+(6*2)+(5*9)+(4*5)+(3*5)+(2*0)+(1*7)=150
150 % 10 = 0
So 252955-07-0 is a valid CAS Registry Number.

252955-07-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 3-(3,4-difluorophenyl)-3-oxopropanoate

1.2 Other means of identification

Product number -
Other names -

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:252955-07-0 SDS

252955-07-0Relevant articles and documents

Desymmetrization of meso-dicarbonatecyclohexene with β-Hydrazino carboxylic esters via a Pd-catalyzed allylic substitution cascade

Xu, Kai,Zheng, Yan,Ye, Yong,Liu, Delong,Zhang, Wanbin

supporting information, p. 8836 - 8841 (2020/11/30)

The desymmetrization of meso-dicarbonatecyclohexene with β-hydrazino carboxylic esters has been achieved via a RuPHOX/Pd-catalyzed allylic substitution cascade for the construction of chiral hexahydrocinnoline derivatives with high performance. Mechanistic studies reveal that the reaction exploits a pathway different from that of our previous work and that the first nitrogen nucleophilic process is the rate-determining step. The protocol could be conducted on a gram scale without any loss of catalytic behavior, and the corresponding chiral hexahydrocinnolines can undergo diverse transformations.

BICYCLIC SULFONES AND SULFOXIDES AND METHODS OF USE THEREOF

-

Paragraph 0439; 0441, (2019/05/15)

The invention provides novel compounds having the general formula I: wherein R1, RB1, RB2, n, p, q, the A ring and the B ring are as described herein, pharmaceutical compositions including the compounds, and methods of usi

Pyrrolidine-3-carboxylic acids as endothelin antagonists. 5. Highly selective, potent, and orally active ETA antagonists

Jae,Winn,Von Geldern,Sorensen,Chiou,Nguyen,Marsh,Opgenorth

, p. 3978 - 3984 (2007/10/03)

The synthesis and structure-activity relationships (SAR) of a series of pyrrolidine-3-carboxylic acids as endothelin antagonists are described. The data shows an increase in selectivity when the methoxy of Atrasentan (ABT-627) is replaced with methyl, and the benzodioxole is replaced with dihydrobenzofuran. Adding a fluorine further increases the binding activity and provides a metabolically stable and orally bioavailable ETA-selective antagonist.

Pyrrolidine-3-carboxylic acids as endothelin antagonists. 2. Sulfonamide-based ET(A)/ET(B) mixed antagonists

Jae, Hwan-Soo,Winn, Martin,Dixon, Douglas B.,Marsh, Kennan C.,Nguyen, Bach,Opgenorth, Terry J.,Von Geldern, Thomas W.

, p. 3217 - 3227 (2007/10/03)

When the N,N-dialkylacetamide side chain of the highly ET(A)-selective endothelin antagonist ABT-627 (1; [2R,3R,4S]-2-(4-methoxyphenyl)-4-(1,3- benzodioxol-5-yl)-1-[[(N,N-dibutylamino)carbonyl]methyl]pyrrolidine-3- carboxylic acid; A-147627) is replaced by N,S-dialkylsulfonami-doethyl, the resultant analogs retain ET(A) affinity, but exhibit substantial ET(B) affinity as well. Structure-activity studies reveal that modifications in the length of the two alkyl groups, and in the substitution on the anisyl ring, are important in optimizing this 'balanced' antagonist profile. In particular the combination of an N-n-propyl group, an S-alkyl chain between four and six carbons in length, and a fluorine atom ortho to the aromatic OCH3 provides compounds with sub-nanomolar affinities for both receptor subtypes, and with ET(A)/ET(B) ratios close to 1. A number of these compounds also exhibit oral bioavailabilities (in rats) in the 30-50% range and have substantial plasma half-lives. The balanced receptor-binding profile of these potent and orally bioavailable compounds complements the ET(A) selectivity observed with 1.

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