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

CAS: 10160-87-9 Cat. No.: D137938 分子式: (C₂H₅O)₂CHC≡CH 分子量: 128.17 Beilstein Registry Number: 1701566 EC番号: 233-430-4

グレード＆純度 ≥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

概要

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

仕様

同義語

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

仕様と純度

≥95%(GC)

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

≥95%(GC)

名前と識別子

パブケム・シド

508811733

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508811733

カノニカル・スマイル

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

異性体SMILES

CCOC(C#C)OCC

WGKドイツ

3

分子量

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
    • 分類 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: heat sensitive,Moisture sensitive,air sensitive
• 屈折率: 1.41
• 引火点（°F）: 87.8 °F
• 引火点（°C）: 31 °C
• 沸点（°C）: 139 °C
• 分子量: 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