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Benzoic acid, 2,4,6-trimethyl-, phenylmethyl ester, also known as 2,4,6-trimethylbenzoic acid phenylmethyl ester, is an organic compound with the chemical formula C15H16O2. It is a derivative of benzoic acid, where three methyl groups are attached to the benzene ring at the 2, 4, and 6 positions, and a phenylmethyl (benzyl) group is esterified to the carboxylic acid group. Benzoic acid, 2,4,6-trimethyl-, phenylmethyl ester is a white crystalline solid with a melting point of 76-78°C and is soluble in organic solvents. It is used in the synthesis of various pharmaceuticals, agrochemicals, and other organic compounds due to its unique structure and reactivity. The ester group in Benzoic acid, 2,4,6-trimethyl-, phenylmethyl ester can be hydrolyzed under acidic or basic conditions, making it a versatile intermediate in organic synthesis.

4909-77-7

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4909-77-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 4909-77-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,9,0 and 9 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 4909-77:
(6*4)+(5*9)+(4*0)+(3*9)+(2*7)+(1*7)=117
117 % 10 = 7
So 4909-77-7 is a valid CAS Registry Number.

4909-77-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name benzyl 2,4,6-trimethylbenzoate

1.2 Other means of identification

Product number -
Other names 2,4,6-Trimethyl-benzoesaeure-benzylester

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:4909-77-7 SDS

4909-77-7Relevant academic research and scientific papers

Sterically congested ester formation from α-substituted malononitrile and alcohol by an oxidative method using molecular oxygen

Hayashi, Yujiro,Li, Jing,Asano, Hirotaka,Sakamoto, Daisuke

supporting information, p. 675 - 677 (2018/11/23)

A metal-free oxidative esterification or thio-esterifica-tion of readily available substituted malononitrile and alcohol or thiol has been developed by simply mixing α-substituted malononitrile and alcohol or thiol in the presence of base under a molecular oxygen atmosphere. Sterically hindered ester or thioester can be prepared efficiently.

Esterification of the Primary Benzylic C-H Bonds with Carboxylic Acids Catalyzed by Ionic Iron(III) Complexes Containing an Imidazolinium Cation

Lu, Bing,Zhu, Fan,Sun, Hong-Mei,Shen, Qi

supporting information, p. 1132 - 1135 (2017/03/14)

The first iron-catalyzed esterification of the primary benzylic C-H bonds with carboxylic acids using di-tert-butyl peroxide as an oxidant is achieved by novel ionic iron(III) complexes containing an imidazolinium cation. The use of well-defined, air-stable, and available iron(III) complex in a 5 mol % loading and readily available starting materials with a broad generality and outstanding sterically hindered tolerance renders this methodology a useful alternative to other protocols that are typically employed for the synthesis of benzyl esters.

METHOD OF CONVERTING ALCOHOL TO HALIDE

-

Page/Page column 50; 66; 67; 68, (2017/01/02)

The present invention relates to a method of converting an alcohol into a corresponding halide. This method comprises reacting the alcohol with an optionally substituted aromatic carboxylic acid halide in presence of an N-substituted formamide to replace a hydroxyl group of the alcohol by a halogen atom. The present invention also relates to a method of converting an alcohol into a corresponding substitution product. The second method comprises: (a) performing the method of the invention of converting an alcohol into the corresponding halide; and (b) reacting the corresponding halide with a nucleophile to convert the halide into the nucleophilic substitution product.

Pt-Catalyzed sp3 C-H bond activation of o-alkyl substituted aromatic carboxylic acid derivatives for the formation of aryl lactones

Lee, Ji Min,Chang, Sukbok

, p. 1375 - 1379 (2007/10/03)

Synthesis of aryl lactones from ortho-alkyl substituted aromatic carboxylic acids is described on the basis of sp3 C-H bond activation using either palladium or platinum catalysts. Kinetic isotope studies reveal that the reaction takes place presumably by the chelation assistance of metal catalyst to the carboxylic group followed by the C-H bond activation.

Selective esterification reaction involving hexaalkyl guanidinium chloride catalyst

Gros,Le Perchec,Gauthier,Senet

, p. 1835 - 1842 (2007/10/02)

A new efficient and selective esterification reaction of carboxylic acids with chloroformates is described using silica-supported catalyst (PBGSiCl). The chemioselectivity of the reaction was high particularly for sterically hindered carboxylic acids supported by a single pathway reaction.

Esterification of Aromatic Carboxylic Acids with Alcohols Using 2-Chloro-3,5-dinitropyridine as a Condensing Agent

Takimoto, Seiji,Abe, Naomi,Kodera, Yasushi,Ohta, Hiroshi

, p. 639 - 640 (2007/10/02)

The reaction of 2-chloro-3,5-dinitropyridine (CDNP) with carboxylic acids and alcohols was examined, and it was found that CDNP was a useful condensing agent.Various esters were prepared in good yields.

Nucleophilic Substitution Reactions in m-Nitrobenzylic Substrates

Barker, Steven D.,Norris, Robert K.

, p. 81 - 95 (2007/10/02)

The reaction of m-nitrobenzyl 2,4,6-trimethylbenzoate (11) with the salt (2) of 2-nitropropane, or the thiolate (16), gives moderate yields of substitution products .However, the mechanism of formation of these products could not be defi

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