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(Z)-Methyl 2-(2-chlorobenzylidene)-3-oxobutanoate, with the molecular formula C12H11ClO3, is a chemical compound characterized by its yellow liquid appearance and a strong, sweet odor. It is insoluble in water but readily dissolves in organic solvents. (Z)-Methyl 2-(2-chlorobenzylidene)-3-oxobutanoate is known for its versatile applications across different industries due to its unique properties.

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  • 15725-22-1 Structure
  • Basic information

    1. Product Name: (Z)-Methyl 2-(2-chlorobenzylidene)-3-oxobutanoate
    2. Synonyms: (Z)-Methyl 2-(2-chlorobenzylidene)-3-oxobutanoate
    3. CAS NO:15725-22-1
    4. Molecular Formula: C13H13ClO3
    5. Molecular Weight: 238.66694
    6. EINECS: 927-920-3
    7. Product Categories: N/A
    8. Mol File: 15725-22-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 360.9°Cat760mmHg
    3. Flash Point: 144.2°C
    4. Appearance: /
    5. Density: 1.21g/cm3
    6. Vapor Pressure: 2.15E-05mmHg at 25°C
    7. Refractive Index: 1.557
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: (Z)-Methyl 2-(2-chlorobenzylidene)-3-oxobutanoate(CAS DataBase Reference)
    11. NIST Chemistry Reference: (Z)-Methyl 2-(2-chlorobenzylidene)-3-oxobutanoate(15725-22-1)
    12. EPA Substance Registry System: (Z)-Methyl 2-(2-chlorobenzylidene)-3-oxobutanoate(15725-22-1)
  • 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: 15725-22-1(Hazardous Substances Data)

15725-22-1 Usage

Uses

Used in Flavor and Fragrance Industry:
(Z)-Methyl 2-(2-chlorobenzylidene)-3-oxobutanoate is used as a flavoring agent and fragrance ingredient for its distinct sweet odor. It is particularly valued in the production of perfumes, soaps, and other personal care products to enhance their scent and appeal to consumers.
Used in Pharmaceutical Synthesis:
As an intermediate in the synthesis of pharmaceuticals, (Z)-Methyl 2-(2-chlorobenzylidene)-3-oxobutanoate plays a crucial role in the development of various medications. Its chemical properties make it a valuable component in the creation of new and improved drugs.
Used in Agricultural Chemicals:
(Z)-Methyl 2-(2-chlorobenzylidene)-3-oxobutanoate is also utilized as an intermediate in the production of agricultural chemicals. Its contribution to the development of these chemicals can lead to more effective and safer products for the agricultural industry.
Used in Polymer Manufacturing:
(Z)-Methyl 2-(2-chlorobenzylidene)-3-oxobutanoate has potential applications in the manufacturing of polymers, where its unique properties can be harnessed to create new materials with specific characteristics for various uses.
Used as a Chemical Reagent:
(Z)-Methyl 2-(2-chlorobenzylidene)-3-oxobutanoate serves as a chemical reagent in various organic reactions, facilitating the synthesis of other compounds and contributing to the advancement of organic chemistry.
Safety Precautions:
It is important to handle (Z)-Methyl 2-(2-chlorobenzylidene)-3-oxobutanoate with care, as it can cause irritation to the skin, eyes, and respiratory system. Additionally, it may have harmful effects if ingested or inhaled, necessitating proper safety measures during its use and storage.

Check Digit Verification of cas no

The CAS Registry Mumber 15725-22-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,5,7,2 and 5 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 15725-22:
(7*1)+(6*5)+(5*7)+(4*2)+(3*5)+(2*2)+(1*2)=101
101 % 10 = 1
So 15725-22-1 is a valid CAS Registry Number.
InChI:InChI=1/C13H13ClO3/c1-3-17-13(16)11(9(2)15)8-10-6-4-5-7-12(10)14/h4-8H,3H2,1-2H3

15725-22-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxobutanoate

1.2 Other means of identification

Product number -
Other names ethyl 2-chlorobenzylideneacetoacetate

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:15725-22-1 SDS

15725-22-1Relevant articles and documents

Hexahydrobenzonaphthyridine-type optically active compound and pharmaceutical use thereof

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Paragraph 0031; 0034; 0035, (2016/10/10)

The invention discloses a hexahydrobenzonaphthyridine-type optically active compound and a pharmaceutical use thereof. The compound is L-(S)-5-amino-4-(2-chlorophenyl)-2,7,7-trimethyl-1,4,6,7,8,9-hexahydrobenzo[b][1,8]naphthyridine-3-ethyl carboxylate wit

1, 4-DIHYDRO-NAPHTHYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION AND USE THEREOF

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Paragraph 0044; 0046, (2014/10/28)

Disclosed are 1, 4-dihydro-naphthyridine derivatives and pharmaceutical composition and uses thereof. The 1,4-dihydro-naphthyridine derivatives are a compound capable of inhibiting acetylcholinesterase activity and preventing extracellular calcium from fl

1,4-DIHYDRO-NAPHTHYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION AND USE THEREOF

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Paragraph 0143, (2015/01/06)

Disclosed are 1,4-dihydro-naphthyridine derivatives and pharmaceutical composition and uses thereof. The 1,4-dihydro-naphthyridine derivatives are a compound capable of inhibiting acetylcholinesterase activity and preventing extracellular calcium from flo

Enzyme catalytic promiscuity: The papain-catalyzed Knoevenagel reaction

Hu, Wen,Guan, Zhi,Deng, Xiang,He, Yan-Hong

experimental part, p. 656 - 661 (2012/05/04)

Papain as a sustainable and inexpensive biocatalyst was used for the first time to catalyze the Knoevenagel reactions in DMSO/water. A wide range of aromatic, hetero-aromatic and α,β-unsaturated aldehydes could react with less active methylene compounds acetylacetone and ethyl acetoacetate. The products were obtained in moderate to excellent yields with Z/E selectivities of up to 100:0. This case of biocatalytic promiscuity not only widens the application of papain to new chemical transformations, but also could be developed into a potentially valuable method for organic synthesis.

A systematic study on Knoevenagel reaction and Nazarov cyclization of less reactive carbonyl compounds using rare earth triflates and its applications

Ilangovan,Muralidharan,Maruthamuthu

experimental part, p. 1000 - 1006 (2012/02/05)

A systematic study of Knoevenagel reaction and Nazarov cyclization was made on variety of less reactive carbonyl compounds such as β-ketoesters, 1,3-diketones and cyclic active methylene compounds using Yb(OTf)3 as the catalyst. Recycling study confirms reusability of the catalyst without much loss of activity.

A simple method for the preparation of functionalized trisubstituted alkenes and α,β,γ,δ-unsaturated carbonyl compounds by using natural amino acid l-tryptophan

Hu, Ying,He, Yan-Hong,Guan, Zhi

scheme or table, p. 656 - 659 (2010/11/05)

Primary natural amino acid l-tryptophan was used, for the first time, as a catalyst in Knoevenagel condensations of aliphatic, aromatic, hetero-aromatic and α,β-unsaturated aldehydes with less reactive acetylacetone and ethyl acetoacetate. The reactions were carried out at room temperature and gave good yields. It is a convenient entry for preparation of functionalized trisubstituted alkenes and α,β,γ,δ-unsaturated carbonyl compounds.

Synthesis and biological evaluation of a novel series of 1,5-benzothiazepine derivatives as potential antimicrobial agents

Wang, Lanzhi,Zhang, Ping,Zhang, Xuemei,Zhang, Yonghong,Li, Yuan,Wang, Yongxiang

experimental part, p. 2815 - 2821 (2009/10/02)

Two series of novel 1,5-benzothiazepine derivatives (23 compounds) were efficiently synthesized and evaluated for antibacterial and antifungal activities. The results indicated that the compounds possessed a broad spectrum of activity against the tested microorganisms and showed higher activity against fungi than bacteria. Compound 2e exhibited the greatest antimicrobial activity. Preliminary study of the structure-activity relationship revealed that substituents in phenyl rings had a great effect on the antimicrobial activity of these compounds.

Pyrazolopyridine derivatives

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Page/Page column 9, (2010/02/15)

The invention relates to compound of the formula (I) or its salt, in which R1, R2, R3 and R4 are as defined in the description, their use of as medicament, the process for their preparation and use for the treatment of PDE-IV or TNF-α mediated diseases.

Synthesis, structure, and electrochemical characteristics of 4-aryl-2-carbamoylmethylthio-5-ethoxycarbonyl-1,4-dihydropyridine-3-carboxylic acid nitriles

Baumane,Krauze,Belyakov,Sile,Chernova,Griga,Duburs,Stradins

, p. 362 - 373 (2007/10/03)

We have obtained 4-aryl-2-carbamoylmethylthio-5-ethoxycarbonyl-1,4- dihydropyridine-3-carboxylic acid nitriles by S-alkylation of the corresponding 2-thioxo-1,2,3,4-tetrahydropyridine-3-carboxylic acid nitrile by iodoacetamide or one-pot multicomponent synthesis methods: condensation of 2-arylidene-acetoacetic acid ethyl ester, 2-cyanothioacetamide, piperidine, and iodoacetamide; acetoacetic acid ethyl ester, 3-aryl-2-cyanothioacrylamide, piperidine, and iodoacetamide; acetoacetic acid ethyl ester, an aromatic aldehyde, 2-cyanothioacetamide, piperidine, and iodoacetamide. We have carried out a comparative analysis of the capability of 2-alkylthio-4-aryl-5- ethoxycarbonyl-1,4-dihydropyridine-3-carboxylic acid nitriles for electrochemical oxidation as a function of the electronic properties of the aryl substituent in the 4 position of the heterocycle and the 2-alkylthio substituent. X-ray diffraction data indicate the existence of a hydrogen bond between the C=O of the 2-carbamoylmethylthio substituent and the NH of the hydrogenated heterocycle, which explains the more facile oxidation of the studied compounds compared with 2-methylthio-substituted 1,4-dihydropyridines.

Pyrimidine and pyridine derivatives, their production and use

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, (2008/06/13)

The present invention relates to a compound represented by the general formula (I): STR1 [wherein R1 is a lower alkyl group or the like, R2 is a lower alkyl group or the like, R3 and R4, which may be the same or

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