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4-(3-OXO-PROPYL)-BENZOIC ACID METHYL ESTER, also known as methyl 4-(3-oxopropyl)benzoate, is a chemical compound with the molecular formula C11H12O3. It is an ester formed from the reaction of benzoic acid and methanol, characterized by its aromatic structure and ester functional group.

113100-81-5

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113100-81-5 Usage

Uses

Used in the Food Industry:
4-(3-OXO-PROPYL)-BENZOIC ACID METHYL ESTER is used as a flavoring agent for enhancing the taste and aroma of various food products, contributing to a richer sensory experience for consumers.
Used in the Cosmetic and Personal Care Products Industry:
In the cosmetic and personal care sector, 4-(3-OXO-PROPYL)-BENZOIC ACID METHYL ESTER serves as a fragrance ingredient, adding pleasant scents to products and improving their overall appeal to users.
Used in the Pharmaceutical Industry:
4-(3-OXO-PROPYL)-BENZOIC ACID METHYL ESTER is utilized as an intermediate in the synthesis of various drugs, playing a crucial role in the development of new medications and therapeutic agents.
Used in Organic Synthesis:
4-(3-OXO-PROPYL)-BENZOIC ACID METHYL ESTER has potential applications in the field of organic synthesis, where it can be employed as a building block or reactant in the creation of more complex organic molecules.
Used as a Chemical Reagent in Laboratory Experiments:
4-(3-OXO-PROPYL)-BENZOIC ACID METHYL ESTER also functions as a chemical reagent in laboratory settings, facilitating various chemical reactions and processes in research and development.

Check Digit Verification of cas no

The CAS Registry Mumber 113100-81-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,3,1,0 and 0 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 113100-81:
(8*1)+(7*1)+(6*3)+(5*1)+(4*0)+(3*0)+(2*8)+(1*1)=55
55 % 10 = 5
So 113100-81-5 is a valid CAS Registry Number.
InChI:InChI=1/C11H12O3/c1-14-11(13)10-6-4-9(5-7-10)3-2-8-12/h4-8H,2-3H2,1H3

113100-81-5SDS

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 methyl 4-(3-oxopropyl)benzoate

1.2 Other means of identification

Product number -
Other names -

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:113100-81-5 SDS

113100-81-5Relevant academic research and scientific papers

Compound as protein degradation agent and preparation method and medical application thereof

-

, (2021/11/03)

The invention discloses a compound serving as a protein degrading agent and a preparation method and medical application thereof, and particularly discloses a compound represented by the formula (I) and a pharmaceutically acceptable salt thereof, and the

Pd-Catalyzed β-C-H Arylation of Aldehydes and Ketones Based on a Transient Directing Group

Wu, Liang-Fei,Yao, Jian-Wei,Zhang, Xin,Liu, Si-Yuan,Zhuang, Ze-Nian,Wei, Kun

supporting information, p. 6237 - 6241 (2021/08/23)

The direct Pd-catalyzed β-C-H arylation of aldehydes and ketones was developed by using 2-amino-N,N′-diisopropylsuccinamide as a novel transient directing group (TDG). The TDG showed good versatility in functionalizing unactivated β-C-H bonds of aldehydes and ketones. It was effective not only for aliphatic aldehydes and ketones but also for aromatic aldehydes and ketones. Besides, it was applicable to o-methylbenzaldehydes.

Access to Trisubstituted Fluoroalkenes by Ruthenium-Catalyzed Cross-Metathesis

Nouaille, Augustin,Pannecoucke, Xavier,Poisson, Thomas,Couve-Bonnaire, Samuel

supporting information, p. 2140 - 2147 (2021/03/06)

Although the olefin metathesis reaction is a well-known and powerful strategy to get alkenes, this reaction remained highly challenging with fluororalkenes, especially the Cross-Metathesis (CM) process. Our thought was to find an easy accessible, convenient, reactive and post-functionalizable source of fluoroalkene, that we found as the methyl 2-fluoroacrylate. We reported herein the efficient ruthenium-catalyzed CM reaction of various terminal and internal alkenes with methyl 2-fluoroacrylate giving access, for the first time, to trisubstituted fluoroalkenes stereoselectively. Unprecedent TON for CM involving fluoroalkene, up to 175, have been obtained and the reaction proved to be tolerant and effective with a large range of olefin partners giving fair to high yields in metathesis products. (Figure presented.).

Preparation method of pemetrexed acid

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Paragraph 0049; 0050, (2019/05/16)

Belonging to the technical field of organic compound synthesis, the invention in particular relates to a preparation method of pemetrexed acid. The method is characterized by utilizing methyl p-formylbenzoate and malonic acid as the starting materials to synthesize the target product. Compared with the methods for synthesis of the compound reported in previous literatures, the method provided by the invention has the advantages of easily available raw materials, low price and no pollution, greatly reduces the production cost, and is suitable for large-scale industrial production. The method isa brand new synthetic route for the compound.

Chemo- and Regioselective Organo-Photoredox Catalyzed Hydroformylation of Styrenes via a Radical Pathway

Huang, He,Yu, Chenguang,Zhang, Yueteng,Zhang, Yongqiang,Mariano, Patrick S.,Wang, Wei

supporting information, p. 9799 - 9802 (2017/08/02)

An unprecedented, chemo- and regioselective, organo-photoredox catalyzed hydroformylation reaction of aryl olefins with diethoxyacetic acid as the formylation reagent is described. In contrast to traditional transition metal promoted ionic hydroformylation reactions, the new process follows a unique photoredox promoted, free radical pathway. In this process, a formyl radical equivalent, produced from diethoxacetic acid through a dye (4CzIPN) photocatalyzed, sequential oxidation-decarboxylation route, regio- and chemoselectively adds to a styrene substrate. Importantly, under the optimized reaction conditions the benzylic radical formed in this manner is reduced by SET from the anion radical of 4CzIPN to generate a benzylic anion. Finally, protonation produces the hydroformylation product. By using the new protocol, aldehydes can be generated regioselectively in up to 90% yield. A broad array of functional groups is tolerated in the process, which takes place under mild, metal-free conditions.

3,5-DICHLORO,4-(3,4-(CYCLO-)ALKOXYPHENYL)--2-CARBONYLOXY)ETHYL)PYRIDINE DERIVATIVES AS PDE-4 INHIBITORS

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Page/Page column 30-31, (2015/12/24)

The invention relates to novel 3,5-dichloro,4-(3,4-(cyclo-) alkoxyphenyl)--2-carbonyloxy)ethyl)pyridine compounds which are inhibitors of the phosphodiesterase 4 (PDE4) enzyme and muscarinic M3 receptor antagonists, methods of preparing such compounds, co

Hydroformylation of olefins and reductive carbonylation of aryl halides with syngas formed ex situ from dehydrogenative decarbonylation of hexane-1,6-diol

Christensen, Stig Holden,Olsen, Esben P. K.,Rosenbaum, Jascha,Madsen, Robert

, p. 938 - 945 (2015/02/19)

A variety of primary alcohols have been investigated as convenient substrates for the ex situ delivery of carbon monoxide and molecular hydrogen in a two-chamber reactor. The gaseous mixture is liberated in one chamber by an iridium-catalysed dehydrogenative decarbonylation of the alcohol and then consumed in the other chamber in either a rhodium-catalysed hydroformylation of olefins or a palladium-catalysed reductive carbonylation of aryl halides. Hexane-1,6-diol was found to be the optimum alcohol for both reactions where moderate to excellent yields were obtained of the product aldehydes. A relatively low pressure of 1.5-2.4 bar was measured in the closed system during the two transformations.

Palladium-catalyzed γ-selective arylation of zincated Boc-allylamines

Millet, Anthony,Baudoin, Olivier

supporting information, p. 3998 - 4000 (2014/08/18)

The regio- and diastereoselective arylation of Boc-protected allylamines was performed via a one-pot lithiation/transmetalation to zinc/cross-coupling sequence, through an appropriate choice of a phosphine ligand. A variety of γ-arylated products were obtained in moderate to good yield, and the products could be directly transformed into valuable γ-arylamines and β-aryl aldehydes.

A novel consecutive three-component Heck-isomerization-Wittig sequence by way of in situ generated aldehydes

Panther, Jesco,Roehrich, Adalbert,Mueller, Thomas J. J.

, p. 297 - 311 (2013/09/24)

A novel consecutive three-component four step synthesis of 5-(hetero)arylpent-2-enoates has been disclosed. Various (hetero)aryl iodides can be coupled with allyl alcohol under Heck conditions to give 3-(hetero)arylpropionaldehyde intermediates, which were transformed without isolation with in situ generated stabilized phosphorus ylides to furnish 5-(hetero)arylpent-2-enoates in moderate to excellent yield. This one-pot procedure circumvents the isolation of sensitive aldehydes and phosphorus ylides as intermediates and finally gives the product isomers with good to excellent E/Z and β/α selectivity. ARKAT-USA, Inc.

Double arylation of allyl alcohol via a one-pot heck arylation- isomerization-acylation cascade

Colbon, Paul,Ruan, Jiwu,Purdie, Mark,Mulholland, Keith,Xiao, Jianliang

supporting information; experimental part, p. 5456 - 5459 (2011/12/05)

A one-pot, two-step catalytic protocol has been developed. A regioselective Heck coupling between aryl bromides and allyl alcohol leads to the generation of arylated allyl alcohols that in situ isomerize to give aldehydes, which then undergo an acylation reaction with a second aryl bromide. A variety of aryl bromides can be employed in both the initial Heck reaction and the acylation, providing easy access to a wide variety of substituted dihydrochalcones.

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