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2,2-Dimethyl-but-3-ynoic acid benzyl ester, with the chemical formula C14H18O2, is an ester derivative of 2,2-dimethylbut-3-ynoic acid and benzyl alcohol. This colorless to pale yellow liquid, characterized by a slight odor, is soluble in organic solvents such as ethanol, ether, and chloroform. It serves as a versatile intermediate in the synthesis of pharmaceuticals, pesticides, and other organic compounds, and also functions as a reagent in organic chemical reactions and a building block for the production of complex molecules. Proper safety guidelines and regulations should be followed for its handling and storage.

204588-77-2

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204588-77-2 Usage

Uses

Used in Pharmaceutical Industry:
2,2-Dimethyl-but-3-ynoic acid benzyl ester is used as an intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the formation of complex molecular structures that can exhibit therapeutic properties.
Used in Pesticide Industry:
In the pesticide industry, 2,2-Dimethyl-but-3-ynoic acid benzyl ester is utilized as an intermediate in the production of compounds that can help control, repel, or kill pests, leveraging its reactivity and structural properties to create effective agents.
Used in Organic Chemical Reactions:
2,2-Dimethyl-but-3-ynoic acid benzyl ester is used as a reagent in organic chemical reactions, facilitating the synthesis of a wide range of organic compounds due to its unique chemical structure and reactivity.
Used in Production of Complex Molecules:
As a building block for the production of complex molecules, 2,2-Dimethyl-but-3-ynoic acid benzyl ester is employed in the creation of intricate organic structures that may have various applications across different industries, including materials science and specialty chemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 204588-77-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,0,4,5,8 and 8 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 204588-77:
(8*2)+(7*0)+(6*4)+(5*5)+(4*8)+(3*8)+(2*7)+(1*7)=142
142 % 10 = 2
So 204588-77-2 is a valid CAS Registry Number.
InChI:InChI=1/C13H14O2/c1-4-13(2,3)12(14)15-10-11-8-6-5-7-9-11/h1,5-9H,10H2,2-3H3

204588-77-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name benzyl 2,2-dimethylbut-3-ynoate

1.2 Other means of identification

Product number -
Other names benzyl 2,2-dimethyl-3-butynoate

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:204588-77-2 SDS

204588-77-2Relevant academic research and scientific papers

MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS

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Page/Page column 58; 60, (2010/06/11)

Compounds of the present invention and pharmaceutically acceptable compositions thereof, are useful as modulators of ATP-Binding Cassette ('ABC') transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator ('CFTR'). The present invention also relates to methods of treating ABC transporter mediated diseases using compounds of the present invention.

The synthesis of novel structural analogues of sialyl Lewis(x)

Murphy, Paul V.,Hubbard, Rod E.,Manallack, David T.,Montana, John G.,Taylor, Richard J. K.

, p. 3273 - 3276 (2007/10/03)

The synthesis of conformationally rigid tetralin-based mimics of the tetrasaccharide sialyl Lewis(x) are described. Palladium catalysed coupling reactions are employed in the key synthetic steps.

The design, synthesis, and evaluation of novel conformationally rigid analogues of sialyl Lewis(x)

Murphy, Paul V.,Hubbard, Rod E.,Manallack, David T.,Wills, Ruth E.,Montana, John G.,Taylor, Richard J. K.

, p. 2421 - 2439 (2007/10/03)

The design and synthesis of a series of analogues of sialyl Lewis(x) (1) which incorporate conformationally rigid tetralin and naphthalene ring systems (2-4) has led to novel compounds which have similar potency to 1 as inhibitors of cell adhesion. Copyright (C) 1998 Elsevier Science Ltd.

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