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Methyl 3-hydroxy-4-((triMethylsilyl)ethynyl)benzoate is a chemical compound characterized by the molecular formula C13H16O3Si. It is a benzoic acid derivative featuring a methyl ester and a hydroxy group on the benzene ring, along with a trimethylsilyl group attached to a terminal alkyne. This unique structure endows it with versatile applications in organic synthesis, particularly as a building block for complex molecules in the production of pharmaceuticals, agrochemicals, and other fine chemicals.

478169-68-5

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478169-68-5 Usage

Uses

Used in Organic Synthesis:
Methyl 3-hydroxy-4-((triMethylsilyl)ethynyl)benzoate is used as a building block in organic synthesis for its ability to contribute to the formation of more complex molecules. Its functional groups and unique structure make it a valuable component in the creation of advanced chemical compounds.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, Methyl 3-hydroxy-4-((triMethylsilyl)ethynyl)benzoate is utilized as a key intermediate in the synthesis of various drugs. Its presence in the molecular structure can influence the pharmacological properties, such as solubility, stability, and bioavailability, which are critical for drug efficacy and safety.
Used in Agrochemical Industry:
Methyl 3-hydroxy-4-((triMethylsilyl)ethynyl)benzoate also finds application in the agrochemical sector, where it serves as a precursor in the development of pesticides and other agricultural chemicals. Its role in these compounds can enhance their effectiveness in protecting crops and improving yield.
Used in Fine Chemicals Production:
Methyl 3-hydroxy-4-((triMethylsilyl)ethynyl)benzoate is also used in the production of fine chemicals, which are high-purity chemicals used in various industries, including fragrances, flavors, and specialty chemicals. The unique properties of Methyl 3-hydroxy-4-((triMethylsilyl)ethynyl)benzoate contribute to the quality and performance of these fine chemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 478169-68-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,7,8,1,6 and 9 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 478169-68:
(8*4)+(7*7)+(6*8)+(5*1)+(4*6)+(3*9)+(2*6)+(1*8)=205
205 % 10 = 5
So 478169-68-5 is a valid CAS Registry Number.

478169-68-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 3-hydroxy-4-[(trimethylsilyl)ethynyl]benzoate

1.2 Other means of identification

Product number -
Other names 3-Hydroxy-4-trimethylsilanylethynyl-benzoic 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:478169-68-5 SDS

478169-68-5Relevant academic research and scientific papers

Synthesis method of 3-hydroxy-4-((trimethylsilyl) ethynyl) methyl benzoate

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Paragraph 0041; 0045-0048; 0052-0055; 0059-0061, (2021/04/10)

The invention relates to a synthetic method of 3-hydroxy-4-((trimethylsilyl) ethynyl) methyl benzoate, and belongs to the technical field of synthesis of medical intermediates. According to the method, 4-iodo-3-hydroxybenzoic acid and trimethylsilylacetyl

Discovery of N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]furo[2,3-c]pyridine-5- carboxamide, an agonist of the α7 nicotinic acetylcholine receptor, for the potential treatment of cognitive deficits in schizophrenia: Synthesis and structure-activity relationship

Wishka, Donn G.,Walker, Daniel P.,Yates, Karen M.,Reitz, Steven C.,Jia, Shaojuan,Myers, Jason K.,Olson, Kirk L.,Jacobsen, E. Jon,Wolfe, Mark L.,Groppi, Vincent E.,Hanchar, Alexander J.,Thornburgh, Bruce A.,Cortes-Burgos, Luz A.,Wong, Erik H. F.,Staton, Brian A.,Raub, Thomas J.,Higdon, Nicole R.,Wall, Theron M.,Hurst, Raymond S.,Walters, Rodney R.,Hoffmann, William E.,Hajos, Mihaly,Franklin, Stanley,Carey, Galen,Gold, Lisa H.,Cook, Karen K.,Sands, Steven B.,Zhao, Sabrina X.,Soglia, John R.,Kalgutkar, Amit S.,Arneric, Stephen P.,Rogers, Bruce N.

, p. 4425 - 4436 (2007/10/03)

N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide (14, PHA-543,613), a novel agonist of the α7 neuronal nicotinic acetylcholine receptor (α7 nAChR), has been identified as a potential treatment of cognitive deficits in schizophrenia. Compound 14 is a potent and selective a7 nAChR agonist with an excellent in vitro profile. The compound is characterized by rapid brain penetration and high oral bioavailability in rat and demonstrates in vivo efficacy in auditory sensory gating and, in an in vivo model to assess cognitive performance, novel object recognition.

Azabicyclic compounds for the treatment of disease

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Page 38, (2010/02/06)

The invention provides compounds of Formula I: 1wherein Azabicyclo is 2These compounds may be in the form of pharmaceutical salts or compositions, may be in pure enantiomeric form or racemic mixtures, and are useful in pharmaceuticals in which α7 is known to be involved.

Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease

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, (2008/06/13)

The invention provides compounds of Formula I: wherein W0 is a bicyclic moiety and is These compounds may be in the form of pharmaceutical salts or compositions, may be in pure enantiomeric form or racemic mixtures, and are useful to treat diseases or conditions in which α7 is known to be involved.

Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease

-

, (2008/06/13)

The invention provides compounds of Formula I: which may be in the form of pharmaceutical acceptable salts or compositions, are useful in treating diseases or conditions in which α7 nicotinic acetylcholine receptors (nAChRs) are known to be involved.

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