94800-92-7

Basic information

• Product Name: ETHYL 2,2-DIMETHYL-3-PHENYLPROPIONATE
• Synonyms: α,α-DiMethyl-benzenepropanoic Acid Ethyl Ester;ETHYL 2,2-DIMETHYL-3-PHENYLPROPIONATE;a,a-Dimethyl-benzenepropanoic Acid Ethyl Ester;Ethyl 2,2-dimethyl -3-phenylpropanoate
• CAS NO: 94800-92-7
• Molecular Formula: C₁₃H₁₈O₂
• Molecular Weight: 206.28
• Product Categories: Aromatics Compounds;Aromatics
• Mol File: 94800-92-7.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 271.1°C at 760 mmHg
• Flash Point: 100.7°C
• Appearance: /
• Density: 0.99g/cm³
• Vapor Pressure: 0.00659mmHg at 25°C
• Refractive Index: 1.494
• Storage Temp.: Refrigerator
• Solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
• CAS DataBase Reference: ETHYL 2,2-DIMETHYL-3-PHENYLPROPIONATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 2,2-DIMETHYL-3-PHENYLPROPIONATE(94800-92-7)
• EPA Substance Registry System: ETHYL 2,2-DIMETHYL-3-PHENYLPROPIONATE(94800-92-7)

Safety Data

• Hazardous Substances Data: 94800-92-7(Hazardous Substances Data)

Usage

Description

Ethyl 2,2-Dimethyl-3-Phenylpropionate, with the chemical formula C13H20O2 and CAS number 94800-92-7, is an organic compound that serves as a versatile building block in the synthesis of various organic molecules. Its unique structure, featuring a phenyl group attached to a 2,2-dimethylpropionate moiety, makes it a valuable intermediate in the production of pharmaceuticals, agrochemicals, and other specialty chemicals.

Uses

Used in Pharmaceutical Industry:
Ethyl 2,2-Dimethyl-3-Phenylpropionate is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique structure allows for the development of new drugs with improved efficacy and reduced side effects.
Used in Agrochemical Industry:
In the agrochemical sector, Ethyl 2,2-Dimethyl-3-Phenylpropionate is utilized as a precursor for the production of novel pesticides and herbicides. Its incorporation into these compounds can lead to enhanced crop protection and increased agricultural productivity.
Used in Fragrance Industry:
Ethyl 2,2-Dimethyl-3-Phenylpropionate is also used as a raw material in the fragrance industry. Its aromatic properties make it suitable for creating unique and complex scents for perfumes, cosmetics, and other scented products.
Used in Organic Synthesis:
As a versatile building block, Ethyl 2,2-Dimethyl-3-Phenylpropionate is widely used in organic synthesis for the preparation of a variety of organic molecules. Its reactivity and functional groups enable the formation of new compounds with diverse applications in various industries.

InChI:InChI=1/C13H18O2/c1-4-15-12(14)13(2,3)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3

Upstream product

• 4303-71-3 triphenylmethyl sodium 
• 97-62-1 Ethyl isobutyrate 
• 100-39-0 benzyl bromide 
• 600-00-0 ethyl 2-bromoisobutyrate 
• 62673-31-8 benzyl(bromo)zinc 
• 64-17-5 ethanol 
• 1257521-29-1 2,2-dimethyl-3-phenyl-N-(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)butanamide 
• 5669-14-7 2,2-dimethyl-3-phenylpropanoic acid 
• 943586-01-4 ethyl 2-(2-iodobenzyl)-2-methylpropanoate 
• 126-84-1 2,2-diethoxypropane 
• 443682-78-8 2,2-dimethyl-3-phenylpropionohydroxamic acid 
• 53807-80-0 ethyl lithioisobutyrate 
• 7664-93-9 sulfuric acid 
• 25491-42-3 ethyl 2,2-dimethyl-3-oxo-3-phenylpropionate 

Downstream Products

• 104875-63-0 (3,3-Dimethyl-4-phenyl-but-1-ynyloxy)-triisopropyl-silane 
• 13351-61-6 2,2-dimethyl-3-phenyl-1-propanol 
• 1009-62-7 2,2-dimethyl-3-phenylpropionaldehyde 
• 141422-22-2 3,3-Dimethyl-4-phenyl-1,2-butanediol 
• 1195172-81-6 1-(2-methyl-1-phenylpropan-2-yl)-3-(4-(2-methylpyridin-4-yl)phenyl)urea 
• 1195178-08-5 2,2-dimethyl-3-phenylpropanoyl azide 
• 847737-14-8 C₂₇H₃₃NO₃ 
• 1355088-77-5 C₂₃H₂₆O₂ 
• 847585-84-6 1-{[6-(2,2-dimethyl-3-phenylpropoxy)-1-methyl-3,4-dihydronaphthalen-2-yl]methyl}azetidine-3-carboxylic acid hydrochloride 
• 854210-73-4 2-methyl-1-(4-nitro-phenyl)-2-phenyl-propane 
• 50818-24-1 2,2-dimethyl-3-(4-nitro-phenyl)-propionyl chloride 
• 857771-08-5 2,2-dimethyl-3-(4-nitrophenyl)propanoic acid 
• 94800-93-8 ethyl 3,3-dimethyl-4-phenylbutanoate 
• 5669-14-7 2,2-dimethyl-3-phenylpropanoic acid 

Relevant articles and documents

Formation of quaternary carbons through cobalt-catalyzed C(sp3)-C(sp3) Negishi cross-coupling

Formation of all-carbon-substituted quaternary carbons is a key challenge in organic and medicinal chemistry. We report a cobalt-catalyzed C(sp3)-C(sp3) cross-coupling that allows for the introduction of benzyl, heteroarylmethylzinc and allyl groups to halo-carbonyl substrates. The cross-coupling reaction is selective for C(sp3)-over C(sp2)-halides, in contrast to most used catalytic metals, and allows access to novel scaffolds of pharmaceutical interest. NMR mechanistic studies suggest the presence of Co(0) complexes as catalytic species. This journal is

Method for amide alcoholysis

The invention provides a method for amide alcoholysis. The method comprises the following steps: using an epoxy compound as an accelerator, and performing alcoholysis on an amide-containing compound under an alkaline condition. The above method is convenient and easy to operate, pure products can be obtained through post-treatment which just needs conventional separation steps, and the epoxy compound is low in costs, thus production and operation costs and three wastes (waste water, waste gas and solid waste) treatment risks and costs can be greatly reduced; when the above method is used, reaction conditions are mild, the method can be compatible with various substituent groups and functional groups, obtains good yields aiming at various amides with different structures, and is wide in substrate application range; an environmentally friendly, economic and practical high-efficiency method for conversion of amides into more useful esters is provided; and the above alcoholysis reaction cannot be influenced by impurities of a previous-step C-H activating reaction system, an intermediate purification step is saved, and two-step reactions of a C-H activating reaction and an amide alcoholysis reaction can be linked.

One-pot reduction of aryl iodides using 4-DMAP methiodide salt

An efficient one-pot procedure is described for the reduction of aryl iodides to aryl anions using a structurally simple bis-pyridinylidene electron donor, prepared in situ by treating 4-DMAP methiodide salt with base. The results show (i) that pyridinylidene carbenes can be easily used for intermolecular C-C bond formation, (ii) that bis-pyridinylidenes demonstrate superior robustness compared to electron-donor systems based on bis-imidazolylidenes, and (iii) that electron-donor strength is enhanced in the simplified DMAP-based donor. Deuterated analogues of this donor also provide mechanistic information on the source of protons when the aryl anions are quenched in situ. Georg Thieme Verlag Stuttgart.