3463-33-0

Basic information

• Product Name: 1-(2-chlorophenyl)-2-propyn-1-one
• Synonyms: 1-(2-chlorophenyl)-2-propyn-1-one
• CAS NO: 3463-33-0
• Molecular Weight: 164.591
• Mol File: 3463-33-0.mol
• Article Data: 5

Chemical Properties

• Melting Point: 67-68 °C
• Boiling Point: 264.4±42.0 °C(Predicted)
• Density: 1.235±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 1-(2-chlorophenyl)-2-propyn-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2-chlorophenyl)-2-propyn-1-one(3463-33-0)
• EPA Substance Registry System: 1-(2-chlorophenyl)-2-propyn-1-one(3463-33-0)

Safety Data

• Hazardous Substances Data: 3463-33-0(Hazardous Substances Data)

Usage

Description

1-(2-chlorophenyl)-2-propyn-1-one, also known as 2-chloro-1-(2-chlorophenyl)prop-2-yn-1-one, is a chemical compound characterized by its molecular formula C9H5ClO. It presents as a yellow to brown liquid, which is sparingly soluble in water but readily soluble in organic solvents. 1-(2-chlorophenyl)-2-propyn-1-one is notable for its applications in the synthesis of pharmaceuticals and organic chemicals, as well as its potential biological and pharmacological activities.

Uses

Used in Pharmaceutical Synthesis:
1-(2-chlorophenyl)-2-propyn-1-one is used as a key intermediate in the synthesis of various pharmaceuticals, contributing to the development of new medications due to its unique chemical structure.
Used in Organic Chemical Production:
1-(2-chlorophenyl)-2-propyn-1-one serves as a reactant in the production of other organic compounds, highlighting its versatility in chemical reactions and its utility in creating a range of products.
Used as a Building Block in Synthesis:
1-(2-chlorophenyl)-2-propyn-1-one can be employed as a building block in the synthesis of more complex molecules, showcasing its importance in the construction of intricate chemical structures.
Used in Biological and Pharmacological Research:
Given its potential as an anti-inflammatory and antifungal agent, 1-(2-chlorophenyl)-2-propyn-1-one is used in research aimed at discovering and developing novel treatments for various conditions.
Used in Chemical Research and Development:
1-(2-chlorophenyl)-2-propyn-1-one is also utilized in the field of chemical research and development, where it may contribute to the advancement of chemical knowledge and the creation of innovative applications.
Safety Note:
It is crucial to handle 1-(2-chlorophenyl)-2-propyn-1-one with care, as it can be an irritant to the skin, eyes, and respiratory system, emphasizing the need for proper safety measures during its use.

Upstream product

• 609-65-4 o-chlorobenzoyl chloride 
• 74-86-2 acetylene 
• 19115-29-8 1-(2-chlorophenyl)-2-propyn-1-ol 

Downstream Products

• 1380094-65-4 C₁₁H₁₁ClOS 
• 1284175-84-3 C₁₁H₁₁ClOS 

Relevant articles and documents

A novel synthesis of N-hydroxy-3-aroylindoles and 3-aroylindoles

A straightforward indole synthesis via annulation of C-nitrosoaromatics with conjugated terminal alkynones was realised achieving a simple, highly regioselective, atom- and step economical access to 3-aroylindoles in moderate to good yields. Further functionalizations of indole scaffolds were investigated and an easy way to JWH-018, a synthetic cannabinoid, was achieved.

Microwave-assisted three-component coupling-addition-SNAr (CASNAR) sequences to annelated 4H-thiopyran-4-ones

A whole family of annelated 4H-thiopyran-4-ones as the core structural unit was readily synthesized in good yields by a microwave-assisted coupling-addition-SNAr (CASNAR) sequence starting from readily available (het)aroyl chlorides, alkynes and sodium sulfide nonahydrate in a consecutive one-pot three-component reaction. All representatives display a pronounced halochromicity of the absorption bands upon protonation. According to DFT calculations, the electronic ground state of the annelated 4H-thiopyran-4-ones possess a considerable zwitterionic character. The Royal Society of Chemistry 2010.

Oxovanadium complex-catalyzed aerobic oxidation of propargylic alcohols

A catalytic system consisting of vanadium oxyacetylacetonate [VO(acac)2] and 3 A molecular sieves (MS3A) in acetonitrile works effectively for the aerobic oxidation of propargylic alcohols [R1CH-(OH)C≡CR2] to the corresponding carbonyl compounds under an atmospheric pressure of molecular oxygen. Although the reactivity of α-acetylenic alkanols (R1 = alkyl) is lower compared to that of the alcohols of R1 = aryl, alkenyl, and alkynyl, the use of VO(hfac)2 as a catalyst and the addition of hexafluoroacetylacetone improve the product yield in these cases. A catalytic cycle involving a vanadium(V) alcoholate species and β-hydrogen elimination from it has been proposed for this oxidation.