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1,4-dioxan-2-yl(phenyl)methanone, also known as 1-phenacyl-1,4-dioxane, is an organic compound with the chemical formula C11H10O3. It is a colorless to pale yellow crystalline solid that is soluble in organic solvents. 1,4-dioxan-2-yl(phenyl)methanone is characterized by a phenacyl group (a phenyl-acyl group) attached to a 1,4-dioxane ring, which is a cyclic ether consisting of two ethylene oxide units. 1,4-dioxan-2-yl(phenyl)methanone is used as a chemical intermediate in the synthesis of various pharmaceuticals and agrochemicals, particularly in the preparation of compounds with potential anti-inflammatory, analgesic, and antipyretic properties. It is also employed in the production of certain dyes and pigments. Due to its reactivity, it is important to handle 1,4-dioxan-2-yl(phenyl)methanone with care, following appropriate safety measures.

5397-44-4

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5397-44-4 Usage

Molecular structure

A dioxane ring fused to a phenyl group, with a methyl ketone group attached to the phenyl group

Physical state

Clear liquid

Odor

Distinct aromatic

Color

Colorless

Solubility

Soluble in organic solvents

Density

1.15 g/cm3

Boiling point

295°C

Melting point

-41°C

Use

Key precursor in the synthesis of MDMA (3,4-methylenedioxymethamphetamine)

Legal status

Controlled substance in many countries due to its association with illicit drug manufacturing

Production method

Commonly produced through the oxidation of safrole, a natural oil found in plants

Monitoring and regulation

Closely monitored and regulated by law enforcement agencies to combat the production and distribution of MDMA.

Check Digit Verification of cas no

The CAS Registry Mumber 5397-44-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,3,9 and 7 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 5397-44:
(6*5)+(5*3)+(4*9)+(3*7)+(2*4)+(1*4)=114
114 % 10 = 4
So 5397-44-4 is a valid CAS Registry Number.

5397-44-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,4-dioxan-2-yl(phenyl)methanone

1.2 Other means of identification

Product number -
Other names [1,4]Dioxanyl-phenyl-keton

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:5397-44-4 SDS

5397-44-4Relevant academic research and scientific papers

C(sp3)-H Bond Acylation with N -Acyl Imides under Photoredox/ Nickel Dual Catalysis

Kerackian, Taline,Reina, Antonio,Krachko, Tetiana,Boddaert, Hugo,Bouyssi, Didier,Monteiro, Nuno,Amgoune, Abderrahmane

supporting information, p. 1531 - 1536 (2020/10/21)

A novel Ni/photoredox-catalyzed acylation of aliphatic substrates, including simple alkanes and dialkyl ethers, has been developed. The method combines C-N bond activation of amides with a radical relay mechanism involving hydrogen-atom transfer. The protocol is operationally simple, employs bench-stable N -acyl imides as acyl-transfer reagents, and permits facile access to alkyl ketones under very mild conditions.

Photocatalytic α-Acylation of Ethers

Sun, Zhongdong,Kumagai, Naoya,Shibasaki, Masakatsu

supporting information, p. 3727 - 3730 (2017/07/26)

Direct coupling of ethers and acyl halides was promoted by a binary catalytic system comprising an Ir-based photocatalyst and a Ni complex under blue-light irradiation. Photocatalysts with high triplet energy directed the catalysis, and the reaction likely proceeded by triplet-triplet energy transfer from the excited photocatalysts. Chlorine radicals generated from an excited Ni complex bearing a Ni-Cl bond would be responsible for generating α-oxy radicals leading to the α-acylated ethers.

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