Ethyl 3-(trimethylsilyl)propiolate - ≥99% , CAS No.16205-84-8

CAS: 16205-84-8 Cat. No.: E587510 Molecular Weight: 170.28 Beilstein Registry Number: 1767850 EC Number: 629-112-3

GRADE & PURITY ≥99%

Synonyms

A883010 | D84547 | DTXSID10340929 | ethyl 3-trimethylsilylprop-2-ynoate | J-802207 | AMY028 | FS-6056 | Ethyl3-(trimethylsilyl)propiolate | Ethyl 3-(trimethylsilyl)-2-propynoate # | SY107041 | Ethyl 3-(trimethylsilyl)propynoate, 99% | Ethyl 3-(trimethylsi

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Product Application
Ethyl 3-(trimethylsilyl)propynoate was used in the preparation of 4-ethoxycarbonyl-3-(trimethylsilyl)furan.

Specifications

Synonyms

A883010 | D84547 | DTXSID10340929 | ethyl 3-trimethylsilylprop-2-ynoate | J-802207 | AMY028 | FS-6056 | Ethyl3-(trimethylsilyl)propiolate | Ethyl 3-(trimethylsilyl)-2-propynoate # | SY107041 | Ethyl 3-(trimethylsilyl)propynoate, 99% | Ethyl 3-(trimethylsi

Specifications & Purity

≥99%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504759294
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759294
• Canonical Smiles: CCOC(=O)C#C[Si](C)(C)C
• IUPAC Name: ethyl 3-trimethylsilylprop-2-ynoate
• InChIKey: QRBKPHYAIRLCLK-UHFFFAOYSA-N
• INCHI: 1S/C8H14O2Si/c1-5-10-8(9)6-7-11(2,3)4/h5H2,1-4H3
• Isomeric SMILES: CCOC(=O)C#C[Si](C)(C)C
• WGK Germany: 3
• Molecular Weight: 170.28
• Beilstein: 1767850
• Reaxy-Rn: 1767850
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1767850&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Alpha,beta-unsaturated carboxylic esters
            • Level7 Ynoate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
• Direct Parent: Ynoate esters
• Alternative Parents: Trialkylsilanes Organic metalloid salts Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ynoate ester - Trialkylsilane - Organic metalloid salt - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosilicon compound - Alkylsilane - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ynoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C#CC(=O)OR2 (R2= organyl compound) in which the ester C=O function is conjugated to a C#C double bond at the alpha,beta position.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Flash Point(°F): 159.8 °F
• Flash Point(°C): 71 °C
• Molecular Weight: 170.280 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 170.076 Da
• Monoisotopic Mass: 170.076 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 201.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3

References

1. Xiujun Wang, Jian Zhang, Qian Xu, Ming Duan, Shenwen Fang, Chunsheng Zhang, Jiaqing Chen.  (2023)  The effect of HMPAM on performance of nonionic polyether water clarifier from the perspective of HLD theory.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2023.110692]

2. Liang He, Jie Zhang, Leiding Shen, Xiaofeng Ji, Rui Li.  (2023)  Occurrence of pesticide residues in honey from apiaries with incidents of honeybee poisoning in East China and a corresponding risk assessment for honeybees and Chinese consumers.  JOURNAL OF FOOD SCIENCE,  88  (8): (3607-3618).  [PMID:37326343] [10.1111/1750-3841.16668]

3. Qian Xu, Xiujun Wang, Weixin Hu, Jian Zhang, Ming Duan, Shenwen Fang.  (2023)  The effect of cationic polyamide-amine dendrimer on HLD equation and interface behavior of nonionic polyether water clarifier.  Journal of Water Process Engineering,      [PMID:] [10.1016/j.jwpe.2023.103748]

4. Hongyun Zhang, Ying Xia, Mingpeng Zhou, Jianyong Zheng, Zhao Wang, Yinjun Zhang.  (2019)  Purification and characterization of a thermoalkaliphilic esterase from Bacillus cereus WZZ006 for enantioselective resolution of indoxacarb intermediate.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:31430490] [10.1016/j.ijbiomac.2019.08.140]

5. X. Y. Li, X. X. Wang, X. Y. Jiang, F. Xu, H. Y. Liu, L. G. Bai, H. Y. Yan, X. Q. Qiao.  (2017)  Preparation and application of a multiwalled carbon nanotube composite monolithic column.  JOURNAL OF APPLIED POLYMER SCIENCE,  134  (33): (45070).  [PMID:] [10.1002/app.45070]

6. Dengke Li, Qinghao Shi, Fengbing Liang, Dexin Feng.  (2024)  The Green Synthesis of Biodiesel via Esterification in Water Catalyzed by the Phosphotungstic Acid–Functionalized Hydrophobic MCM–41 Catalyst.  Catalysts,  14  (2): (142).  [PMID:] [10.3390/catal14020142]

7. Shu-Fei Yuan, Xin-Jing Yue, Wei-Feng Hu, Ye Wang, Yue-Zhong Li.  (2023)  Genome-wide analysis of lipolytic enzymes and characterization of a high-tolerant carboxylesterase from Sorangium cellulosum.  Frontiers in Microbiology,      [PMID:38111649] [10.3389/fmicb.2023.1304233]

8. Zhao Jianwei, Sun Yinlu, Gao Yajun.  (2016)  Theoretical simulation of chromatographic separation based on random diffusion in the restricted space.  Science China-Chemistry,  59  (7): (824-829).  [PMID:] [10.1007/s11426-016-5565-4]