3,3-Diethoxy-1-propyne - ≥95%(GC) , CAS No.10160-87-9

CAS: 10160-87-9 Cat. No.: D137938 Summenformel: (C₂H₅O)₂CHC≡CH Molekulargewicht: 128.17 Beilstein Registry Number: 1701566 EG-Nummer: 233-430-4

GRADE & PURITY ≥95%(GC)

Synonyms

propargylaldehyde diethylacetal | BBL104277 | EINECS 233-430-4 | BCP18205 | Propargylaldehyde diethyl acetal | PROPARGYLALDEHYDEDIETHYLACETAL | InChI=1/C7H12O2/c1-4-7(8-5-2)9-6-3/h1,7H,5-6H2,2-3H3 | FT-0636648 | 1-Propyne, 3,3-diethoxy- | 3,3-Diethoxyprop

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

3,3-Diethoxy-1-propyne is used in preparation of 3-boronoacrolein pinacolate, a heterodyne and (E)-3-(tributylstannyl)-2-propenal.

Used in preparation of 3-boronoacrolein pinacolate, a heterodyne and (E)-3-(tributylstannyl)-2-propenal

Specifications

Synonyme

propargylaldehyde diethylacetal | BBL104277 | EINECS 233-430-4 | BCP18205 | Propargylaldehyde diethyl acetal | PROPARGYLALDEHYDEDIETHYLACETAL | InChI=1/C7H12O2/c1-4-7(8-5-2)9-6-3/h1,7H,5-6H2,2-3H3 | FT-0636648 | 1-Propyne, 3,3-diethoxy- | 3,3-Diethoxyprop

Spezifikationen & Reinheit

≥95%(GC)

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

≥95%(GC)

Namen und Kennungen

• Pubchem Sid: 508811733
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508811733
• Kanonisches Lächeln: CCOC(C#C)OCC
• IUPAC Name: 3,3-diethoxyprop-1-yne
• InChIKey: RGUXEWWHSQGVRZ-UHFFFAOYSA-N
• INCHI: 1S/C7H12O2/c1-4-7(8-5-2)9-6-3/h1,7H,5-6H2,2-3H3
• Isomere SMILES: CCOC(C#C)OCC
• WGK Deutschland: 3
• Molekulargewicht: 128.17
• Beilstein: 1701566
• Reaxy-Rn: 1701566
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1701566&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetals
• Alternative Parents: Acetylides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetylide - Acetal - Hydrocarbon derivative - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: heat sensitive,Moisture sensitive,air sensitive
• Brechungsindex: 1.41
• Flammpunkt (°F): 87.8 °F
• Flammpunkt (°C): 31 °C
• Siedepunkt (°C): 139 °C
• Molekulargewicht: 128.169 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 128.084 Da
• Monoisotopic Mass: 128.084 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.700
• 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