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3,3-bis(4-chlorophenyl)-2-benzofuran-1(3H)-one is a complex organic compound with the molecular formula C20H12Cl2O2. It is characterized by a benzofuran-1(3H)-one core structure, which features a benzene ring fused to a furan ring, and is further substituted with two 4-chlorophenyl groups at the 3-position. 3,3-bis(4-chlorophenyl)-2-benzofuran-1(3H)-one is known for its potential applications in the synthesis of pharmaceuticals and agrochemicals, particularly as a precursor in the production of certain pesticides. The presence of chlorine atoms in the molecule can influence its reactivity and stability, making it a subject of interest in chemical research and development.

5449-79-6

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5449-79-6 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5449-79-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,4 and 9 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 5449-79:
(6*5)+(5*4)+(4*4)+(3*9)+(2*7)+(1*9)=116
116 % 10 = 6
So 5449-79-6 is a valid CAS Registry Number.

5449-79-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,3-bis(4-chlorophenyl)-2-benzofuran-1-one

1.2 Other means of identification

Product number -
Other names 3,3-bis(4-chlorophenyl)-2-benzofuran-1(3h)-one

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:5449-79-6 SDS

5449-79-6Relevant academic research and scientific papers

Phthalide synthesis through dehydrogenated lactonization of the C(sp3)-H bond by photoredox catalysis

Cai, Shunyou,Cai, Zhixiong,Chen, Shanyi,Huang, Mingqiang,Lai, Qihong,Lin, Yulin,Liu, Chao,Liu, Hui

, p. 8212 - 8216 (2021/10/29)

A practical and efficient method is established for the direct oxidative lactonization of the C(sp3)-H bonds relying on visible-light-induced photoredox catalysis. This protocol expediently allows the delivery of diverse phthalides using oxygen as the sole terminal oxidant under metal-free conditions at room temperature. Notably, the choice of an appropriate hydrogen atom transfer (HAT) cocatalyst is revealed to be critical for the success of this process.

Facile synthesis of phthalides from methyl ortho-iodobenzoates and ketones via an iodinemagnesium exchange reaction using a silylmethyl Grignard reagent

Nakamura, Yu,Yoshida, Suguru,Hosoya, Takamitsu

supporting information, p. 858 - 861 (2017/06/13)

Phthalides have been easily prepared by the treatment of methyl o-iodobenzoates with a silylmethyl Grignard reagent in the presence of ketones. The electron-withdrawing ester moiety of methyl o-iodobenzoates and the low nucleophilicity of the silylmethyl Grignard reagent prompted a smooth iodinemagnesium exchange reaction, at room temperature, without affecting the ester moiety or resulting in an undesired reaction with electrophilic ketones. This simple method, wherein special control of the reaction temperature was unnecessary, has allowed the synthesis of various phthalides, including a phenolphthalein derivative.

INVESTIGATION OF THE STRUCTURE OF 3,3-DIALKYL(ARYL)PHTHALIDES AND 3,3-DIALKYL(ARYL)THIOPHTHALIDES BY IR SPECTROSCOPY

Oparin, D. A.,Melent'eva, T. G.,Pavlova, L. A.

, p. 2149 - 2151 (2007/10/02)

In 3,3-dialkyl(aryl)phthalides and the corresponding thiophthalides the frequencies of the stretching vibrations of the carbonyl group correlate with the sum of the Taft ?* induction constants of the substituent at C3 of the heterocycle.The substitution of oxygen in the ring by sulfur substantially reduces the frequency of the carbonyl stretching vibrations.

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