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1-(Benzyloxy)-3-ethynylbenzene, with the molecular formula C16H12O, is a benzene derivative featuring a benzyloxy group (C6H5O-) and an ethynyl group (C2H-). This colorless liquid at room temperature is insoluble in water but soluble in most organic solvents. It serves as a key intermediate in the synthesis of various organic compounds, playing a significant role in industries such as pharmaceuticals, agrochemicals, and materials science.

128133-59-5

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128133-59-5 Usage

Uses

Used in Pharmaceutical Industry:
1-(Benzyloxy)-3-ethynylbenzene is used as a key intermediate for the synthesis of pharmaceutical compounds. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, 1-(Benzyloxy)-3-ethynylbenzene is utilized as a precursor in the production of various agrochemicals, contributing to the development of effective pesticides and other agricultural chemicals.
Used in Materials Science:
1-(Benzyloxy)-3-ethynylbenzene is employed in materials science for the synthesis of advanced materials with specific properties. Its versatility in organic synthesis enables the creation of materials with tailored characteristics for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 128133-59-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,8,1,3 and 3 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 128133-59:
(8*1)+(7*2)+(6*8)+(5*1)+(4*3)+(3*3)+(2*5)+(1*9)=115
115 % 10 = 5
So 128133-59-5 is a valid CAS Registry Number.
InChI:InChI=1/C15H12O/c1-2-13-9-6-10-15(11-13)16-12-14-7-4-3-5-8-14/h1,3-11H,12H2

128133-59-5SDS

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 1-ethynyl-3-phenylmethoxybenzene

1.2 Other means of identification

Product number -
Other names 1-Ethynyl-3-(phenylmethoxy)-Benzene

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:128133-59-5 SDS

128133-59-5Relevant academic research and scientific papers

Synthesis and preliminary evaluation of 4-hydroxy-6-(3-[11C]methoxyphenethyl)pyridazin-3(2H)-one, a 11C-labeled D-amino acid oxidase (DAAO) inhibitor for PET imaging

Chen, Zhen,Deng, Xiaoyun,Fujinaga, Masayuki,Hatori, Akiko,Hu, Kuan,Josephson, Lee,Kumata, Katsushi,Liang, Steven,Mori, Wakana,Murtas, Giulia,Pollegioni, Loredano,Rong, Jian,Shao, Tuo,Shao, Yihan,Van, Richard,Wey, Hsiao-Ying,Yu, Qingzhen,Zhang, Ming-Rong,Zhang, Yiding

, (2020)

Selective DAAO inhibitors have demonstrated promising therapeutic effects in clinical studies, including clinically alleviating symptoms of schizophrenic patients and ameliorating cognitive function in Alzheimer's patients with early phase. Herein we repo

BTK Inhibitors and uses thereof

-

, (2020/05/02)

The invention discloses a bruton's tyrosine kinase (BTK) inhibitor and use thereof. Specifically, the invention provides heteroaromatic compounds or stereoisomers, geometrical isomers, tautomers, racemates, nitrogen oxides, hydrates, solvates, metabolites and pharmaceutically acceptable salts or prodrugs thereof, and pharmaceutical compositions containing the heteroaromatic compounds; the invention also discloses use of the heteroaromatic compounds or the pharmaceutical compositions containing the heteroaromatic compounds in preparation of medicines; the medicines can be used for treating autoimmune diseases, inflammatory diseases or proliferative diseases.

SO2F2-Mediated Oxidative Dehydrogenation and Dehydration of Alcohols to Alkynes

Zha, Gao-Feng,Fang, Wan-Yin,Li, You-Gui,Leng, Jing,Chen, Xing,Qin, Hua-Li

supporting information, p. 17666 - 17673 (2019/01/04)

Direct synthesis of alkynes from inexpensive, abundant alcohols was achieved in high yields (greater than 40 examples, up to 95% yield) through a SO2F2-promoted dehydration and dehydrogenation process. This straightforward transformation of sp3-sp3 (C-C) bonds to sp-sp (C=C) bonds requires only inexpensive and readily available reagents (no transition metals) under mild conditions. The crude alkynes are sufficiently free of impurities to permit direct use in further transformations, as illustrated by regioselective Huisgen alkyne-azide cycloaddition reactions with PhN3 to give 1,4-substituted 1,2,3-traiazoles (16 examples, up to 92% yield) and Sonogashira couplings (10 examples, up to 77% yield).

Varying Chirality Across Nicotinic Acetylcholine Receptor Subtypes: Selective Binding of Quinuclidine Triazole Compounds

Sarasamkan, Jiradanai,Scheunemann, Matthias,Apaijai, Nattayaporn,Palee, Siripong,Parichatikanond, Warisara,Arunrungvichian, Kuntarat,Fischer, Steffen,Chattipakorn, Siriporn,Deuther-Conrad, Winnie,Schüürmann, Gerrit,Brust, Peter,Vajragupta, Opa

supporting information, p. 890 - 895 (2016/10/25)

The novel quinuclidine anti-1,2,3-triazole derivatives T1-T6 were designed based on the structure of QND8. The binding studies revealed that the stereochemistry at the C3 position of the quinuclidine scaffold plays an important role in the nAChR subtype selectivity. Whereas the (R)-enantiomers are selective to α7 over α4β2 (by factors of 44-225) and to a smaller degree over α3β4 (3-33), their (S)-counterparts prefer α3β4 over α4β2 (62-237) as well as over α7 (5-294). The (R)-derivatives were highly selective to α7 over α3β4 subtypes compared to (RS)- and (R)-QND8. The (S)-enantiomers are 5-10 times more selective to α4β2 than their (R) forms. The overall strongest affinity is observed for the (S)-enantiomer binding to α3β4 (Ki, 2.25-19.5 nM) followed by their (R)-counterpart binding to α7 (Ki, 22.5-117 nM), with a significantly weaker (S)-enantiomer binding to α4β2 (Ki, 414-1980 nM) still above the very weak respective (R)-analogue affinity (Ki, 5059-10436 nM).

Rational design of 5-phenyl-3-isoxazolecarboxylic acid ethyl esters as growth inhibitors of Mycobacterium tuberculosis. A potent and selective series for further drug development

Lilienkampf, Annamaria,Pieroni, Marco,Wan, Baojie,Wang, Yuehong,Franzblau, Scott G.,Kozikowski, Alan P.

supporting information; experimental part, p. 678 - 688 (2010/07/06)

New antituberculosis (anti-TB) drugs are urgently needed to shorten the 6-12month treatment regimen and especially to battle drug-resistant Mycobacterium tuberculosis (Mtb) strains. In this study, we have continued our efforts to develop isoxazole-based a

Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for beta-secretase modulation

-

Page/Page column 29, (2008/06/13)

The present invention provides a 2-amino-5-heteroaryl-5-phenylimidazolone compound of formula I The present invention also provides methods for the use thereof to inhibit β-secretase (BACE) and treat β-amyloid deposits and neurofibrillary tangles

Calcium uptake inhibitors

-

, (2008/06/13)

This invention relates to 1-phenyl-3-phenyl-2-propyne-1-ones, the use of these compounds as calcium uptake inhibitors in leukocytes and thrombocytes, and pharmaceutical compositions containing these compounds as active ingredients, and the process of their preparation.

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