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1-ETH-1-YNYL-4-(HEXYLOXY)BENZENE, with the molecular formula C16H18, is an alkyne derivative of benzene featuring a hexyloxy group attached to the fourth carbon atom. This chemical compound serves as a versatile building block in the synthesis of a range of organic compounds and is particularly valuable in the production of pharmaceuticals, agrochemicals, and other fine chemicals. Due to its potential hazards if ingested, inhaled, or if it comes into contact with the skin or eyes, it is crucial to handle 1-ETH-1-YNYL-4-(HEXYLOXY)BENZENE with appropriate safety measures.

79887-17-5

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79887-17-5 Usage

Uses

Used in Pharmaceutical Industry:
1-ETH-1-YNYL-4-(HEXYLOXY)BENZENE is used as a starting material for the synthesis of various pharmaceuticals, contributing to the development of new drugs and therapeutic agents. Its unique chemical structure allows for the creation of diverse molecular entities with potential medicinal properties.
Used in Agrochemical Industry:
In the agrochemical sector, 1-ETH-1-YNYL-4-(HEXYLOXY)BENZENE is utilized as a precursor in the synthesis of agrochemicals, such as pesticides and herbicides. Its role in these applications is to provide a foundation for the development of more effective and targeted agricultural chemicals.
Used in Fine Chemicals Industry:
1-ETH-1-YNYL-4-(HEXYLOXY)BENZENE is also employed in the production of fine chemicals, which are high-purity chemicals used in various applications, including research, specialty manufacturing, and high-value consumer products. Its versatility and reactivity make it an essential component in the synthesis of these specialized compounds.
Safety Precautions:
When working with 1-ETH-1-YNYL-4-(HEXYLOXY)BENZENE, it is important to follow safety protocols to prevent potential hazards. This includes wearing appropriate personal protective equipment, such as gloves, goggles, and lab coats, and working in a well-ventilated area to minimize the risk of inhalation or skin contact. Additionally, proper storage and disposal methods should be adhered to, in accordance with local regulations and guidelines.

Check Digit Verification of cas no

The CAS Registry Mumber 79887-17-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,9,8,8 and 7 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 79887-17:
(7*7)+(6*9)+(5*8)+(4*8)+(3*7)+(2*1)+(1*7)=205
205 % 10 = 5
So 79887-17-5 is a valid CAS Registry Number.
InChI:InChI=1/C14H18O/c1-3-5-6-7-12-15-14-10-8-13(4-2)9-11-14/h2,8-11H,3,5-7,12H2,1H3

79887-17-5SDS

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-4-hexoxybenzene

1.2 Other means of identification

Product number -
Other names p-n-hexyloxyphenylacetylene

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:79887-17-5 SDS

79887-17-5Relevant academic research and scientific papers

Alkyloxy modified pyrene fluorophores with tunable photophysical and crystalline properties

Kapf, Andreas,Eslahi, Hassan,Blanke, Meik,Saccone, Marco,Giese, Michael,Albrecht, Marcel

supporting information, p. 6361 - 6371 (2019/04/25)

Novel alkyloxy modified 2,7-di-tert-butyl-4,5,9,10-tetra(arylethynyl)pyrenes were prepared through a straightforward Sonogashira coupling approach. Optical properties such as quantum yields and absorption/emission spectra of the fluorophores were investigated by UV/Vis and fluorescence measurements. Aggregation induced excimer formation of the chromophores in polar solvents and in the solid state was proved by the presence of a characteristic bathochromically shifted emission band and a decrease of the emission capability. These results strongly indicate the unexpected observation that the excimer formation of adjacent pyrene rings is not prevented by the introduction of bulky tert-butyl substituents. Single-crystal X-ray and computational analyses reveal the co-planar alignment of adjacent molecules and the presence of π-π-stacking in the molecular packing of the pyrene polyaromatics. Furthermore, fluorescence, DSC and POM measurements indicate that the aggregation behaviour, the thermal characteristics and the crystalline properties are significantly influenced by changing structural features of the attached functional groups at the periphery of the pyrene core.

Ullazine Donor–π bridge-Acceptor Organic Dyes for Dye-Sensitized Solar Cells

Zhang, Yanbing,Cheema, Hammad,McNamara, Louis,Hunt, Leigh Anna,Hammer, Nathan I.,Delcamp, Jared H.

supporting information, p. 5939 - 5949 (2018/03/28)

A series of four ullazine-donor based donor–π bridge-acceptor (D–π–A) dyes have been synthesized and compared to a prior ullazine donor-acceptor (D–A) dye as well as a triphenylamine donor with an identical π–bridge and acceptor. The D–π–A ullazine series demonstrates an unusually uniform-in-intensity panchromatic UV/Vis absorption spectrum throughout the visible region. This is in part due to the introduction of strong high-energy bands through incorporation of the ullazine building block as shown by computational analysis. The dyes were characterized on TiO2 films and in DSC devices. Performances of 5.6 % power conversion efficiency were obtained with IPCE onsets reaching 800 nm.

Solid-Solid Phase Transitions in [ trans-Pt(PMe3)2(C=CC6H4R)2]-Containing Materials (R = O(CH2)nH; N = 6, 9, 12, and 15)

Marineau Plante, Gabriel,Fortin, Daniel,Soldera, Armand,Harvey, Pierre D.

, p. 2544 - 2552 (2018/08/21)

The title complexes were prepared in Hagihara conditions and were investigated by single crystal X-ray crystallography (n = 6, [Pt]C6; n = 12, [Pt]C12), X-ray powder diffraction (powder XRD), differential scanning calorimetry (DSC),

Thermal and nonlinear optical studies of newly synthesized EDOT based bent-core and hockey-stick like liquid crystals

Gowda, Ashwathanarayana,Jacob, Litwin,Joy, Nithin,Philip, Reji,Pratibha,Kumar, Sandeep

, p. 2047 - 2057 (2018/02/09)

Novel EDOT based bent-core and hockey-stick shaped mesogens bearing terminal alkyl chains and alkoxy terminal chains, respectively, have been designed and synthesized via the Sonogashira coupling reaction. Molecular structures of these new compounds were

MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS

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Paragraph 00791; 00899, (2018/09/12)

Provided herein are antibacterial compounds, wherein the compounds in some embodiments have broad spectrum bioactivity. In various embodiments, the compounds act by inhibition of bacterial type 1 signal peptidase (SpsB), an essential protein in bacteria. Pharmaceutical compositions and methods for treatment using the compounds described herein are also provided.

Double thiopheneglyoxylic [...] and derivatives and preparation method

-

Page/Page column 15, (2016/10/07)

The invention discloses bithienofluorene, its derivative and a preparation method. The compounds are characterized in that: a fluorene ring is in connection with thieno rings, and the 2- position of thiophene has a substituent group, which can be hydrogen, alkyl or aryl. The preparation method consists of: taking 2, 7-dyhydroxyl-9-fluorenone as a raw material, employing sulfonyl chloride to conduct chlorination so as to synthesize 3, 6-dichloro-2, 7-dyhydroxyl-9-fluorenone; and then adopting trifluoromethanesulfonic anhydride to carry out esterification, and performing a Sonogashira coupling reaction to obtain series of 2, 7-disubstituted ethynyl-3, 6-dichloro-9-fluorenone, and finally conducting ring closing by sodium sulfide and reduction to obtain bithienofluorene and its derivative. The series of compounds involved in the invention provides a new option for organic field effect transistor materials, and the preparation method provides a new method for aromatic ketone carbonyl reduction.

Fluoranthene derivatives as blue fluorescent materials for non-doped organic light-emitting diodes

Kumar, Shiv,Kumar, Deepak,Patil, Yogesh,Patil, Satish

, p. 193 - 200 (2015/12/30)

In this study, we report synthesis of symmetrically and non-symmetrically functionalized fluoranthene-based blue fluorescent molecular materials for non-doped electroluminescent devices. The solid state structure of these fluorophores has been established

Synthesis of unsymmetrical aryl-ethynylated benzenes via regiocontrolled Sonogashira reaction of 1,3,5-tribromobenzene

Dawood, Kamal M.,Hassaneen, Hamdi M.,Abdelhadi, Hyam A.,Ahmed, Mohamed S. M.,Mohamed, Mohamed A.-M.

, p. 1688 - 1695 (2015/01/08)

Sonogashira coupling of trimethylsilylacetylene with 4-alkyloxy-1-iodobenzenes gave 2-(4-(alkyloxy)phenyl)ethynyltrimethylsilanes which undergo deprotection via removal of TMS-group using tetrabutylammonium fluoride (TBAF) in THF at room temperature to af

Arylethynyl-substituted tristriazolotriazines: Synthesis, optical properties, and thermotropic behavior

Glang, Stefan,Rieth, Thorsten,Borchmann, Dorothee,Fortunati, Ilaria,Signorini, Raffaella,Detert, Heiner

, p. 3116 - 3126 (2014/06/09)

The synthesis of C3-symmetrical tristriazolotriazines with conjugated arms and lateral alkoxy side chains was performed by a threefold condensation of cyanuric chloride with tetrazoles. Conjugated π segments include phenyl, tolane, and its phenylethynyl-elongated homologue. Disclike and a dendritic molecule have been obtained, and two compounds with a 3,4,5-tris(octyloxy) substitution form broad thermotropic mesophases. The linear optical properties, solvatochromism of the fluorescence, acidochromism, and the two-photon absorption efficiency of selected compounds are reported. Copyright

The molecular engineering of organic sensitizers for solar-cell applications

Delcamp, Jared H.,Yella, Aswani,Holcombe, Thomas W.,Nazeeruddin, Mohammad K.,Graetzel, Michael

supporting information, p. 376 - 380 (2013/02/23)

Positive to the core: Ullazine has both strong electron-donating and weak accepting properties. This heterocycle was incorporated into sensitizers for dye-sensitized solar cells (DSCs). One of these sensitizers demonstrated strong light absorption across the UV/Vis region. The corresponding DSC device has a maximum IPCE of 95% at 520 nm, with a power conversion efficiency of 8.4%.

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