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Propanoic acid, 2,2-dimethyl-3-oxo-, methyl ester, commonly known as methyl 2,2-dimethyl-3-oxopropionate, is a colorless liquid chemical compound with the molecular formula C7H12O3. It is relatively stable and has low toxicity, but proper precautions should be taken when handling it to avoid skin or eye contact and inhalation of vapors.

13865-20-8

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13865-20-8 Usage

Uses

Used in Chemical Industry:
Propanoic acid, 2,2-dimethyl-3-oxo-, methyl ester is used as a solvent for various applications due to its ability to dissolve a wide range of substances.
Used in Flavor and Fragrance Industry:
This chemical compound is used as a flavoring agent, providing unique scents and tastes to various products.
Used in Pharmaceutical Industry:
Propanoic acid, 2,2-dimethyl-3-oxo-, methyl ester is used as an intermediate in the production of pharmaceuticals, contributing to the synthesis of various medicinal compounds.
Used in Agrochemical Industry:
It serves as an intermediate in the production of agrochemicals, aiding in the development of effective pesticides and other agricultural products.
Used in Synthesis of Other Organic Compounds:
This ester is utilized in the synthesis of other organic compounds, expanding its applications in various chemical reactions and processes.
Used in Insect Repellent Industry:
Propanoic acid, 2,2-dimethyl-3-oxo-, methyl ester can be found in some insect repellents, providing a means to deter insects and protect against bites.
Overall, propanoic acid, 2,2-dimethyl-3-oxo-, methyl ester is a versatile chemical compound with a wide range of applications across different industries, playing a crucial role in the production of numerous consumer products.

Check Digit Verification of cas no

The CAS Registry Mumber 13865-20-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,8,6 and 5 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 13865-20:
(7*1)+(6*3)+(5*8)+(4*6)+(3*5)+(2*2)+(1*0)=108
108 % 10 = 8
So 13865-20-8 is a valid CAS Registry Number.

13865-20-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 2,2-dimethyl-3-oxopropanoate

1.2 Other means of identification

Product number -
Other names 2,2-dimethyl-3-oxo-propionic acid methyl ester

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:13865-20-8 SDS

13865-20-8Relevant academic research and scientific papers

Preparation and synthetic applications of sterically hindered secondary amines

Kim, Hwa-Ok,Carroll, Brian,Lee, Min S.

, p. 2505 - 2515 (1997)

The preparation of sterically hindered secondary amino esters from the reaction of N-protected α-amino aldehydes and 3-, or 2-oxo esters with α- amino esters by reductive amination is described. The resulting amino esters were converted to the β-lactam or acylated to form N-acyl secondary amides.

Gallium trihalide catalyzed sequential addition of two different carbon nucleophiles to esters by using silyl cyanide and ketene silyl acetals

Inamoto, Yoshihiro,Kaga, Yuta,Nishimoto, Yoshihiro,Yasuda, Makoto,Baba, Akio

, p. 11664 - 11668 (2014)

A sequential addition of silyl cyanide and ketene silyl acetals to esters was achieved by a gallium trihalide catalyst to produce β-cyano-β- siloxy esters. This is the first example of the sequential addition of two different carbon nucleophiles to esters. The employment of lactones provided α,α-disubstituted cyclic ethers with a cyano group and an ester moiety. A variety of esters and lactones are applicable to this reaction system.

Simple alkenes as substitutes for organometallic reagents: Nickel-catalyzed, intermolecular coupling of aldehydes, silyl triflates, and alpha olefins

Ng, Sze-Sze,Jamison, Timothy F.

, p. 14194 - 14195 (2005)

A nickel-catalyzed method for the three-component coupling of alkenes (ethylene and alpha olefins), aldehydes, and silyl triflates is described, and this process represents the first catalytic method for coupling aldehydes and alkenes to give allylic alco

Hydroformylation of methyl methacrylate via "in-situ" phosphinerhodium catalysis

Prokai-Tatrai, K.,Toeroes, S.,Heil, B.

, p. 331 - 336 (1987)

It has been shown that in hydroformylation of methyl methacrylate with rhodium phosphine catalysts prepared "in situ" the regioselectivity is very sensitive not only to the reaction conditions but also to the basicity of the phosphine and to the presence of added Et3N.At low P/Rh ratio chlororhodium species are catalytically active.No side reactions have been detected.

Function-Oriented Synthesis toward Peloruside A Analogues

Chany, Anne-Caroline,Legros, Frédéric,Haroun, Heloua,Kundu, Uday Kumar,Biletskyi, Bohdan,Torlak, Sergii,Mathé-Allainmat, Monique,Lebreton, Jacques,Macé, Aurélie,Carboni, Bertrand,Renoux, Brigitte,Gosselin, Pascal,Dujardin, Gilles,Gaulon-Nourry, Catherine

, p. 2988 - 2992 (2019)

A convergent and rapid synthesis of original C2,C3-unsaturated, C11,C13-keto-enol macrocycles with a peloruside A skeleton has been developed. These original unsaturated macrocycles constitute valuable platforms to access peloruside A analogues with high

A synthetic quest for tris(imidazolyl) carboxylates and their metal complexes: Active site models for quercetin 2,3-dioxygenases and other non-heme redox metalloenzymes

Volkman, Jerome,Nicholas, Kenneth M.

, p. 3368 - 3376 (2012)

Synthetic routes to tris(imidazolyl)carboxylate ligands and representative metal complexes are reported, which provide more accurate active site models for several classes of redox metalloenzymes. In the first route a hydroxypivalate ester is converted in four regioselective steps to an imidazole diester 4; this is then converted to tris(imidazolyl)carboxylic acid ligand 9, featuring regiospecific double addition of an N-protected lithio-imidazole to an imidazole diester 8. Ligand 9 forms a Co(III) complex, (9)(9-H)Co (10), characterized by X-ray diffraction, coordinated via two imidazole units and the carboxylate. A second route was developed, which provides more soluble ligands that are less prone to form oligomeric complexes. It utilizes addition of the Grignard reagent from 4-iodo-2-isopropylimidazole 12 to an imidazole diester 13, producing atropisomeric tris(imidazolyl)carbinol esters 15M. Treatment of 15M with [Cu(CH3CN)4]PF6 gives a trinuclear complex 16 having alkoxide bridges between neighboring Cu atoms. A third route avoids the bridging alkoxo groups by reduction of tris(imidazolyl)carbinol 15M to the tris(imidazolyl)methane ester 17, which is hydrolyzed to the tris(imidazolyl)methane carboxylic acid 11a. This ligand reacts with [Cu(CH 3CN)4]PF6 to produce dinuclear complex [(11a-H)2Cu2](PF6)2 (18), whose X-ray crystal structure shows each copper in a distorted square pyramidal geometry with coordination to the three imidazoles and two bridging carboxylate oxygens. Complex 18 is geometrically similar to the active site copper in quercetin 2,3-dioxygenase.

Hydroformylation of Methyl Methacrylate Catalyzed by Homogeneous and Polymer-Attached Rhodium Complexes

Pittman, Charles U.,Honnick, William D.,Yang, Jin Jun

, p. 684 - 689 (1980)

The hydroformylation of methyl methacrylate has been studied in the presence of RhH(CO)(PPh3)3 or its polymer-anchored analogue as the catalyst.The branched/normal product ratio was exceptionally sensitive to conditions, increasing as (1) / increased, (2) the pressure increased, (3) PPh3 was replaced by Ph2P(CH2)2P(Ph)(CH2)2PPh2, and (4) the polymer-supported phosphines replaced PPh3 at equivalent P/Rh ratios.The branched/normal selectivity decreased as (1) / increased and (2) the temperature increased.Changing the solvent from benzene to THF or adding Et3N had only minor effects on selectivity.The results are interpreted in terms of Wilkinson's mechanism where electronic effects control double-bond insertion into the rhodium-hydride bonds but isomerization equilibria of alkyl or acyl intermediates become more important at higher temperatures.

TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS

-

Page/Page column 79; 82, (2021/01/29)

The present invention relates to novel tricyclic compounds that are AKR1C3 dependent KARS inhibitor, processes for their preparation, pharmaceutical compositions, and medicaments containing them, and their use in diseases and disorders mediated by an AKR1C3 dependent KARS inhibitor.

TARGETING DNA REPAIR IN TUMOR CELLS VIA INHIBITION OF ERCC1-XPF

-

Paragraph 00427-00429, (2020/12/30)

The current application relates to pyronaridine or 6-chloro-2-methoxyacridine analogs having binding affinity for the ERCC1-XPF hetero-dimerization interface. The compounds can be used for targeting DNA repair in tumor cells via ERCC1-XPF inhibition, ther

Efficient synthesis of chiral γ-aminobutyric esters: Via direct rhodium-catalysed enantioselective hydroaminomethylation of acrylates

Cunillera, Anton,De Los Bernardos, Miriam Díaz,Urrutigo?ty, Martine,Claver, Carmen,Ruiz, Aurora,Godard, Cyril

, p. 630 - 634 (2020/02/25)

The successful rhodium catalysed asymmetric intermolecular hydroaminomethylation (HAM) of alkenes using a single catalyst bearing the (R,R)-QuinoxP? ligand is reported. The HAM of α-alkyl acrylates is revealed to be an efficient tool for the regio- and en

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