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

CAS: 922-67-8 Cat. No.: M106792 Summenformel: C₄H₄O₂ Molekulargewicht: 84.07 Beilstein Registry Number: 605462 EG-Nummer: 213-083-5

QUALITÄT & REINHEIT ≥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

Übersicht

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.

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Product Line

M106792-5ml

Namen und Kennungen

Pubchem Sid

504752457

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

COC(=O)C#C

WGK Deutschland

3

RTECS

UE0050000

UN-Nummer

3272

Molekulargewicht

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
    • Klasse Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Ebene5 Carboxylic acid esters
          • Ebene6 Alpha,beta-unsaturated carboxylic esters
            • Ebene7 Ynoate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Not miscible in water.
• Empfindlichkeit: Air sensitive
• Brechungsindex: 1.408
• Flammpunkt (°F): 60.8 °F
• Flammpunkt (°C): 10℃
• Siedepunkt (°C): 103-105°C
• Molekulargewicht: 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

Häufig gestellte Fragen

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.