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1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one, with the molecular formula C15H17ClO, is a chemical compound that falls under the category of phenylpropanes. It is characterized by the presence of a phenylpropane moiety and exhibits properties typical of halogenated alkenes due to its chlorine content. 1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one is known for its relatively high mass, which imparts it with physical and chemical properties shared by other heavier elements.

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  • 1577-03-3 Structure
  • Basic information

    1. Product Name: 1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one
    2. Synonyms: 1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one;1-(4-Chlorophenyl)-4,4-dimethyl-1-penten-3-one
    3. CAS NO:1577-03-3
    4. Molecular Formula: C13H15ClO
    5. Molecular Weight: 222.71
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1577-03-3.mol
  • Chemical Properties

    1. Melting Point: 85-85.5 °C
    2. Boiling Point: 332 °C at 760 mmHg
    3. Flash Point: 189.1 °C
    4. Appearance: /
    5. Density: 1.083g/cm3
    6. Vapor Pressure: 0.00015mmHg at 25°C
    7. Refractive Index: 1.55
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one(1577-03-3)
    12. EPA Substance Registry System: 1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one(1577-03-3)
  • 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: 1577-03-3(Hazardous Substances Data)

1577-03-3 Usage

Uses

Used in Chemical Industry:
1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one is used as an intermediate in the synthesis of various chemical compounds, contributing to the production of a wide range of products. Its unique structure allows it to be a valuable component in the creation of complex molecules.
Used in Pharmaceutical Industry:
In the pharmaceutical sector, 1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one serves as a key building block for the development of new drugs. Its chemical properties make it suitable for use in the formulation of medications, particularly those targeting specific therapeutic areas.
Used in Agricultural Industry:
1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one is employed as a component in the production of agrochemicals, such as pesticides and herbicides. Its chemical structure provides it with the necessary properties to be effective in controlling pests and weeds in agricultural settings.
As with all chemicals, it is crucial to handle 1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one with care and to implement appropriate safety measures to ensure the protection of both individuals and the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 1577-03-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,5,7 and 7 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 1577-03:
(6*1)+(5*5)+(4*7)+(3*7)+(2*0)+(1*3)=83
83 % 10 = 3
So 1577-03-3 is a valid CAS Registry Number.
InChI:InChI=1/C13H15ClO/c1-13(2,3)12(15)9-6-10-4-7-11(14)8-5-10/h4-9H,1-3H3

1577-03-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one

1.2 Other means of identification

Product number -
Other names 1,1-Dimethylethyl 4-chlorostyrylketone

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:1577-03-3 SDS

1577-03-3Relevant articles and documents

Design, synthesis and neuraminidase inhibitory activity of N-(5-benzyl-4-(tert-butyl)thiazol-2-yl)benzamides

Wu, Zhilin,Peng, Junmei,Hu, Aixi,Ye, Jiao,Li, Guoxi

, p. 356 - 368 (2016)

A series of N-(5-benzyl-4-(tert-butyl)thiazol-2-yl)benzamides were synthesized and the structures were characterized by 1H NMR, MS and elemental analyses. The crystal structures of compounds F5 and F16 were determined by single-crystal X-ray diffraction. The neuraminidase inhibitory activities of compounds F1-F32 were evaluated in vitro at the concentration of 40 μg/mL. The results indicated that compounds F8, F26 and F32 exhibited most potent inhibitory activity against NA. Molecular docking was performed by LeDock to further explain the structure-activity relationship of compound F26. The docking modeling showed that compound F26 was in good combination with oseltamivir binding sites of NA and could be a potential NA inhibitor agent.

Industrial synthesis method of tebuconazole intermediate alpha

-

Paragraph 0039-0047, (2019/04/26)

The invention provides an industrial synthesis method of tebuconazole intermediate alpha. The method includes the following steps that an organic solvent, alkali, pinacone and an antioxidant are addedinto a reaction vessel, p-chlorobenzaldehyde is added i

2-Oxindole Acts as a Synthon of 2-Aminobenzoyl Anion in the K2CO3-Catalyzed Reaction with Enones: Preparation of 1,4-Diketones Bearing an Amino Group and Their Further Transformations

Miao, Chun-Bao,Zeng, Yu-Mei,Shi, Tong,Liu, Rui,Wei, Peng-Fei,Sun, Xiao-Qiang,Yang, Hai-Tao

, p. 43 - 50 (2016/01/15)

A convenient approach for the synthesis of 1,4-diketones bearing an amino group has been developed through the K2CO3-catalyzed reaction of 2-oxindoles with enones with the assistance of atmospheric O2 via sequential Michael addition-oxidation-ring-cleavage process. The further intramolecular reaction leads to the formation of benzoazepinone, quinoline, and 3-oxindole derivatives.

ALLOSTERIC INHIBITORS OF ATYPICAL PROTEIN KINASES C

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Paragraph 0086; 0108; 0121, (2015/06/08)

The invention provides specific small molecule compounds that allosterically regulate the activity of atypical protein kinase C, their use as a medicament, and their use in the treatment and prevention of allergic, inflammatory and autoimmune disorders, cancer, hyperproliferation, sepsis, viral and protozoan infections, dementing diseases, metabolic, sclerotic and osteoporotic disorders.

Discovery and optimization of 1,3,5-trisubstituted pyrazolines as potent and highly selective allosteric inhibitors of protein kinase C-χ

Abdel-Halim, Mohammad,Diesel, Britta,Kiemer, Alexandra K.,Abadi, Ashraf H.,Hartmann, Rolf W.,Engel, Matthias

supporting information, p. 6513 - 6530 (2014/10/15)

There is increasing evidence that the atypical protein kinase C, PKCχ, might be a therapeutic target in pulmonary and hepatic inflammatory diseases. However, targeting the highly conserved ATP-binding pocket in the catalytic domain held little promise to

Processes for preparing beta-hydroxy-ketones and alpha,beta-unsaturated ketones

-

Page 16, (2008/06/13)

Processes for producing β-hydroxy-ketones and α,β-unsaturated ketones are disclosed which comprise the crossed condensation of an aldehyde with a ketone in the presence of a hydroxide or alkoxide of alkali metal or an alkaline earth metal as catalyst. The products of the process, β-hydroxy-ketones and α,β-unsaturated ketones, are useful for the preparation of many commercially important products in the chemical process industries including solvents, drug intermediates, flavors and fragrances, other specialty chemical intermediates.

Fungicidal compounds

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, (2008/06/13)

Triazoles of formula: STR1 wherein R1 is alkenyl, alkynyl or optionally substituted aralkyl; Y is =N--, R2 is cycloalkyl, alkyl or haloalkyl, and R3 is H, methyl or alkenyl, or esters, ethers, salts and metal complexes thereof. The triazoles have fungicidal and plant growth regulating activity.

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