50807-17-5

Basic information

• Product Name: 2,2-dichloro-1-[4-(1,1-dimethylethyl)phenyl]ethan-1-one
• Synonyms: 2,2-dichloro-1-[4-(1,1-dimethylethyl)phenyl]ethan-1-one
• CAS NO: 50807-17-5
• Molecular Formula: C₁₂H₁₄Cl₂O
• Molecular Weight: 245.14496
• EINECS: 256-772-6
• Mol File: 50807-17-5.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 318.6°C at 760 mmHg
• Flash Point: 134°C
• Appearance: /
• Density: 1.162g/cm³
• Vapor Pressure: 0.000357mmHg at 25°C
• Refractive Index: 1.522
• CAS DataBase Reference: 2,2-dichloro-1-[4-(1,1-dimethylethyl)phenyl]ethan-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-dichloro-1-[4-(1,1-dimethylethyl)phenyl]ethan-1-one(50807-17-5)
• EPA Substance Registry System: 2,2-dichloro-1-[4-(1,1-dimethylethyl)phenyl]ethan-1-one(50807-17-5)

Safety Data

• Hazardous Substances Data: 50807-17-5(Hazardous Substances Data)

Usage

Physical state

White crystalline solid

Uses

Intermediate in the production of various pharmaceuticals and agrochemicals

Chemical stability

High degree of chemical stability, relatively non-reactive under normal conditions

Toxicity

Toxic, may cause irritation to the skin, eyes, and respiratory system upon exposure

Safety precautions

Follow proper safety protocols and use protective equipment when working with this compound.

InChI:InChI=1/C12H14Cl2O/c1-12(2,3)9-6-4-8(5-7-9)10(15)11(13)14/h4-7,11H,1-3H3

Upstream product

• 943-27-1 4'-t-butylacetophenone 
• 75-09-2 dichloromethane 
• 208188-23-2 N-methoxy-N-methyl-4-(2-methyl-2-propanyl)benzamide 
• 772-38-3 4-tert-Butylphenylacetylene 
• 51326-37-5 1-[4-(tert-butyl)phenyl]-2,2,2-trichloroethan-1-one 
• 122-04-3 4-nitro-benzoyl chloride 
• 16002-63-4 phenylmagnesium iodide 
• 100-58-3 phenylmagnesium bromide 
• 253185-03-4 tert-butylbenzene 
• 79-36-7 dichloroacethyl chloride 

Relevant articles and documents

Modular and Chemoselective Strategy for Accessing (Distinct) α,α-Dihaloketones from Weinreb Amides and Dihalomethyllithiums

The selective transfer of diversely functionalized dihalomethyllithiums (LiCHBrCl, LiCHClI, LiCHBrI, LiCHCl2, LiCHBr2, LiCHFI) to Weinreb amides for preparing gem-dihaloketones in one synthetic operation is reported. The capability of these amides as acylating agents and, the wide availability of dihalomethanes as pronucleophiles, enable a straightforward route to the title compounds under full chemocontrol. No racemization phenomena were evidenced in the case of optically active materials. Additionally, tolerance to sensitive functional groups (esters, amides, halogens, olefins etc.) was uniformly noticed, thus making this conceptually intuitive strategy flexible and tunable by the operator. (Figure presented.).

Electrochemical Oxidative Oxydihalogenation of Alkynes for the Synthesis of α,α-Dihaloketones

An electrochemical oxydihalogenation of alkynes has been developed for the first time. Using this sustainable protocol, a variety of α,α-dihaloketones can be prepared with readily available CHCl3, CH2Cl2, ClCH2CH2Cl, and CH2Br2 as the halogen source under electrochemical conditions at room temperature.

Visible-light-promoted oxidative halogenation of alkynes

In nature, halogenation promotes the biological activity of secondary metabolites, especially geminal dihalogenation. Related natural molecules have been studied for decades. In recent years, their diversified vital activities have been explored for treating various diseases, which call for efficient and divergent synthetic strategies to facilitate drug discovery. Here we report a catalyst-free oxidative halogenation achieved under ambient conditions (halide ion, air, water, visible light, room temperature, and normal pressure). Constitutionally, electron transfer between the oxygen and halide ion is shuttled via simple conjugated molecules, in which phenylacetylene works as both reactant and catalyst. Synthetically, it provides a highly compatible late-stage transformation strategy to build up dihaloacetophenones (DHAPs).