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4-(Trimethylsilyl)ethynylbenzaldehyde is an organic compound characterized by the presence of a trimethylsilyl group and an ethynylbenzene moiety. It is a versatile intermediate in organic synthesis, particularly for the preparation of acetylene-substituted naphthalene diimides.

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  • 77123-57-0 Structure
  • Basic information

    1. Product Name: 4-(Trimethylsilyl)ethynylbenzaldehyde
    2. Synonyms: 4-(TRIMETHYLSILYL)ETHYNYLBENZALDEHYDE;4-[(Trimethysilyl)-ethynyl]benzaldehyde;4-[2-(triMethylsilyl)ethynyl]benzaldehyde;Benzaldehyde, 4-[(triMethylsilyl)ethynyl]-;4-[(TriMethylsilyl)ethynyl]benzaldehyde 97%;4-[(TriMethylsilyl)ethynyl]benzaldehy
    3. CAS NO:77123-57-0
    4. Molecular Formula: C12H14OSi
    5. Molecular Weight: 202.32
    6. EINECS: N/A
    7. Product Categories: Aldehydes;C10 to C21;Carbonyl Compounds
    8. Mol File: 77123-57-0.mol
  • Chemical Properties

    1. Melting Point: 66-70 °C(lit.)
    2. Boiling Point: 262.1 °C at 760 mmHg
    3. Flash Point: 112.3 °C
    4. Appearance: /
    5. Density: 0.98 g/cm3
    6. Vapor Pressure: 0.0111mmHg at 25°C
    7. Refractive Index: 1.514
    8. Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-(Trimethylsilyl)ethynylbenzaldehyde(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-(Trimethylsilyl)ethynylbenzaldehyde(77123-57-0)
    12. EPA Substance Registry System: 4-(Trimethylsilyl)ethynylbenzaldehyde(77123-57-0)
  • Safety Data

    1. Hazard Codes: T
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 77123-57-0(Hazardous Substances Data)

77123-57-0 Usage

Uses

Used in Organic Synthesis:
4-(Trimethylsilyl)ethynylbenzaldehyde is used as a reactant for the synthesis of acetylene-substituted naphthalene diimides in polar solvents. Its unique structure allows for the formation of various functional groups and the creation of complex organic molecules with potential applications in different fields.
Used in Chemical Research:
In the field of chemical research, 4-(Trimethylsilyl)ethynylbenzaldehyde serves as a valuable compound for studying the reactivity and properties of organosilicon compounds. Its synthesis and reactions can provide insights into the development of new synthetic methods and the discovery of novel compounds with potential applications.
Used in Pharmaceutical Industry:
Although not explicitly mentioned in the provided materials, the synthesis of acetylene-substituted naphthalene diimides using 4-(Trimethylsilyl)ethynylbenzaldehyde could potentially lead to the development of new pharmaceutical compounds. These diimides may exhibit biological activities, such as antimicrobial, antiviral, or anticancer properties, which can be further explored and optimized for therapeutic applications.
Used in Material Science:
The acetylene-substituted naphthalene diimides synthesized using 4-(Trimethylsilyl)ethynylbenzaldehyde may also find applications in material science. These compounds could be used in the development of new materials with unique properties, such as conductive polymers, sensors, or advanced composites, depending on their chemical and physical characteristics.

Check Digit Verification of cas no

The CAS Registry Mumber 77123-57-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,7,1,2 and 3 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 77123-57:
(7*7)+(6*7)+(5*1)+(4*2)+(3*3)+(2*5)+(1*7)=130
130 % 10 = 0
So 77123-57-0 is a valid CAS Registry Number.
InChI:InChI=1/C12H14OSi/c1-14(2,3)9-8-11-4-6-12(10-13)7-5-11/h4-7,10H,1-3H3

77123-57-0 Well-known Company Product Price

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  • (Code)Product description
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  • Alfa Aesar

  • (H55060)  4-[(Trimethylsilyl)ethynyl]benzaldehyde, 97%   

  • 77123-57-0

  • 1g

  • 302.0CNY

  • Detail
  • Alfa Aesar

  • (H55060)  4-[(Trimethylsilyl)ethynyl]benzaldehyde, 97%   

  • 77123-57-0

  • 5g

  • 1056.0CNY

  • Detail
  • Alfa Aesar

  • (H55060)  4-[(Trimethylsilyl)ethynyl]benzaldehyde, 97%   

  • 77123-57-0

  • 25g

  • 5023.0CNY

  • Detail

77123-57-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-[(Trimethylsilyl)ethynyl]benzaldehyde

1.2 Other means of identification

Product number -
Other names 4-(2-trimethylsilylethynyl)benzaldehyde

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:77123-57-0 SDS

77123-57-0Relevant articles and documents

Synthesis and characterization of dendritic structures incorporating phosphorus, sulfur, and silicon

Padié, Clément,Hameau, Aurélien,Duhayon, Carine,Majoral, Jean-Pierre,Caminade, Anne-Marie

, p. 411 - 416 (2016)

Two new families of small phosphorus-containing dendrons, having as core either a phenol protected by a t-butyldimethylsilyl group or a terminal alkyne protected by a trimethylsilyl group have been synthesized. Both families comprise P, S, and Si (and oth

Two-dimensional graphdiyne analogue Co-coordinated porphyrin covalent organic framework nanosheets as a stable electrocatalyst for the oxygen evolution reaction

Huang, Hao,Li, Fumin,Zhang, Ying,Chen

, p. 5575 - 5582 (2019)

As a rising-star 2D carbon material, graphdiyne (GDY), has received wide attention for its promising applications in many fields due to its unique butadiyne structure. However, owing to a lack of active sites, GDY just serves as a catalyst support in the electrocatalytic process, especially OER. Developing a new monomer with highly active centers for GDY is an effective strategy to overcome this unfavorable factor. Herein, a metalloporphyrin-based GDY analogue (Co-PDY) with a unique π-conjugated structure was innovatively designed and prepared through a Glaser-Hay coupling reaction on copper foam. Cobalt centers of metalloporphyrin moieties can provide numerous electrocatalytic sites for OER; also, the electrons can be transferred rapidly through the butadiyne linkages in the electrocatalytic process. The expanded pore structure (2.34 nm) of Co-PDY also serves as an effective transmission channel for small molecule diffusion to maintain the following catalytic process. These three factors altogether endow Co-PDY with excellent OER catalytic performance, including a small overpotential of 270 mV at 10 mA cm-2, a low Tafel slope of (99 mV dec-1), and promising long-term stability and durability. Meanwhile, the Co-PDY/CF electrode also displayed an acceptable electrocatalytic performance for HER in alkaline media. Profiting from the above characteristics, Co-PDY can be regarded as a promising electrocatalyst for new energy devices.

A novel RET inhibitor. Pharmaceutical composition and use thereof

-

Paragraph 0332-0335, (2021/11/26)

The invention belongs to the field of medicines, and relates to a novel RET inhibitor, a pharmaceutical composition and application thereof. In particular, the invention relates to a compound represented by formula (I), a stereoisomer, a tautomer, an oxynitride, a solvate, a metabolite, a pharmaceutically acceptable salt or prodrug thereof, I said compound and a pharmaceutical composition thereof for the manufacture of a medicament, in particular for the treatment and prophylaxis and RET of diseases and disorders associated with irritable bowel syndrome.

Expanded Cyclotetrabenzoins

Eisterhold, Andrew M.,Puangsamlee, Thamon,Otterbach, Steffen,Br?se, Stefan,Weis, Patrick,Wang, Xiqu,Kutonova, Ksenia V.,Miljani?, Ognjen ?.

supporting information, p. 781 - 785 (2021/01/26)

Cyclobenzoins are shape-persistent macrocycles of interest in the preparation of optoelectronic and porous materials. New cyclotetrabenzoins derived from biphenyl, naphthalene, and tolane skeletons were synthesized using N-heterocyclic carbene-catalyzed b

Bimetallic conjugated microporous polymer derived B,N-doped porous carbon wrapped Co3Fe7alloy composite as a bifunctional oxygen electrocatalyst for a breathing Zn-air battery

Bai, Jingkun,Bian, Weiwei,Dou, Jinli,Guo, Wenxue,Lu, Jingjing,Luan, Xiujuan,Luo, Haotian,Zhang, Chunli,Zhang, Teng,Zhang, Xueli,Zhou, Baolong

supporting information, p. 21020 - 21030 (2021/12/09)

The exploration and development of high-performance, durable and economic bifunctional electrocatalysts towards the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER) is essential but challenging for the development of rechargeable Zn

α-Diazo Sulfonium Triflates: Synthesis, Structure, and Application to the Synthesis of 1-(Dialkylamino)-1,2,3-triazoles

Li, Xiangdong,Golz, Christopher,Alcarazo, Manuel

supporting information, p. 6943 - 6948 (2021/02/26)

The one-pot synthesis of a series of sulfonium salts containing transferable diazomethyl groups is described, and the structure of these compounds is elucidated by X-ray crystallography. Under photochemical conditions, reaction of these salts with N,N-dialkyl hydrazones affords 1-(dialkylamino)-1,2,3-triazoles via diazomethyl radical addition to the azomethine carbon followed by intramolecular ring closure. The straightforward transformation of the structures thus obtained into mesoionic carbene–metal complexes is also reported and the donor properties of these new ligands characterized.

FLUORESCENT SYSTEMS FOR BIOLOGICAL IMAGING AND USES THEREOF

-

Page/Page column 26; 28-29, (2021/02/12)

The invention relates to compounds of formula I, in which Y, Ar1, Ar2, X, R1 and R2 are defined herein, and to their use in a variety of biological imaging techniques and therapeutic methods. In aspects, the invention relates to conjugates comprising the compounds of formula I and their associated uses and therapeutic uses.

Cellular localisation of structurally diverse diphenylacetylene fluorophores

Adams, Candace,Ambler, Carrie A.,Bain, Angus J.,Blacker, Thomas S.,Callaghan, Daniel,Chisholm, David R.,Girkin, John M.,Hughes, Joshua G.,Humann, Rachel,Lembicz, Nicola K.,Pujol, Alba,Whiting, Andrew

, p. 9231 - 9245 (2020/12/03)

Fluorescent probes are increasingly used as reporter molecules in a wide variety of biophysical experiments, but when designing new compounds it can often be difficult to anticipate the effect that changing chemical structure can have on cellular localisa

RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF

-

Paragraph 00324, (2020/07/06)

Provided herein are a RET inhibitor, a pharmaceutical composition thereof and uses thereof. In particular, provided is a compound having Formula (I) or a stereoisomer, a geometric isomer, a tautomer, an N-oxide, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof. Provided is a pharmaceutical composition comprising the compound, and uses of the compound and pharmaceutical composition thereof for the preparation of a medicament, in particular for treatment and prevention of RET-related diseases and conditions, including cancer, irritable bowel syndrome, and/or pain associated with irritable bowel syndrome.

RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF

-

Paragraph 00230; 00322; 00559, (2020/07/05)

Provided herein are a RET inhibitor, a pharmaceutical composition thereof and uses thereof. In particular, provided is a compound having Formula (I) or a stereoisomer, a geometric isomer, a tautomer, an N-oxide, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof. Provided is a pharmaceutical composition comprising the compound, and uses of the compound and pharmaceutical composition thereof for the preparation of a medicament, in particular for treatment and prevention of RET-related diseases and conditions, including cancer, irritable bowel syndrome, and/or pain associated with irritable bowel syndrome.

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