Methyl propiolate - ≥97% , CAS No.922-67-8

CAS: 922-67-8 Cat. No.: M106792 分子式: C₄H₄O₂ 分子量: 84.07 Beilstein Registry Number: 605462 EC番号: 213-083-5

グレード＆純度 ≥97%

Synonyms

NSC 154164 | Propiolic Acid Methyl Ester | 4-02-00-01688 (Beilstein Handbook Reference) | SB40750 | AI3-37828 | MFCD00008572 | InChI=1/C4H4O2/c1-3-4(5)6-2/h1H,2H | AKOS000120024 | methyl propargylate | 2-Propynoic acid, methyl ester | propiolic acid methy

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

概要

N-3 protecting reagent for uridines and thymidines.
Methyl propiolate was used in the synthesis of polysubstituted 3-arylaminoacrylate and tetrahydropyrimidin-2-one derivatives. It was also used as a thiol derivatizing agent for capillary electrophoresis.
Used in a one-pot, four-component synthesis of 1,2,3,5-benzenetetracarboxylates promoted by Ph3P.

仕様

同義語

NSC 154164 | Propiolic Acid Methyl Ester | 4-02-00-01688 (Beilstein Handbook Reference) | SB40750 | AI3-37828 | MFCD00008572 | InChI=1/C4H4O2/c1-3-4(5)6-2/h1H,2H | AKOS000120024 | methyl propargylate | 2-Propynoic acid, methyl ester | propiolic acid methy

仕様と純度

≥97%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

Product Line

M106792-5ml

名前と識別子

パブケム・シド

504752457

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504752457

カノニカル・スマイル

COC(=O)C#C

IUPAC Name

methyl prop-2-ynoate

InChIKey

IMAKHNTVDGLIRY-UHFFFAOYSA-N

INCHI

1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3

異性体SMILES

COC(=O)C#C

WGKドイツ

3

RTECS

UE0050000

UN番号

3272

分子量

84.07

Beilstein

605462

Reaxy-Rn

605462

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605462&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 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
• 分類: 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: Methyl esters Monocarboxylic acids and derivatives Acetylides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ynoate ester - Methyl ester - Acetylide - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Not miscible in water.
• 感度: Air sensitive
• 屈折率: 1.408
• 引火点（°F）: 60.8 °F
• 引火点（°C）: 10℃
• 沸点（°C）: 103-105°C
• 分子量: 84.070 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 84.0211 Da
• Monoisotopic Mass: 84.0211 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 95.400
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 922-67-8, the molecular formula is C4H4O2, and the molecular weight is 84.07 g/mol. InChIKey IMAKHNTVDGLIRY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.