1,4-Bis(trimethylsilyl)butadiyne - ≥98% , CAS No.4526-07-2

CAS: 4526-07-2 Cat. No.: B106742 Peso molecular: 194.42 Beilstein Registry Number: 1758268 Número EC: 629-258-8

GRADE & PURITY ≥98%

Synonyms

BTMSBD | silane, 1,3-butadiyne-1,4-diylbis[trimethyl- | B1298 | 1,4-bis(trimethylsilyl)-1,3-butadiine | 1,4-Bis(trimethylsilyl)butadiyne, 98%, stable crystalline form of butadiyne | ?1,4-BIS(TRIMETHYLSILYL)-1,3-BUTADIYNE | A826752 | (S)-Phenylsuperquat |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Hydrosilylation of 1,4-bis(trimethylsilyl)butadiyne using various hydridosilanes and Pt(IV), Pt(0), Rh(I) or Pd catalyst has been reported
It has been used in Negishi protocol for the synthesis of glycosylated oligo(ethynylene)s.

Specifications

Sinónimos

BTMSBD | silane, 1, 3-butadiyne-1, 4-diylbis[trimethyl- | B1298 | 1, 4-bis(trimethylsilyl)-1, 3-butadiine | 1, 4-Bis(trimethylsilyl)butadiyne, 98%, stable crystalline form of butadiyne | ?1, 4-BIS(TRIMETHYLSILYL)-1, 3-BUTADIYNE | A826752 | (S)-Phenylsuperquat |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C[Si](C)(C)C#CC#C[Si](C)(C)C
• IUPAC Name: trimethyl(4-trimethylsilylbuta-1,3-diynyl)silane
• InChIKey: LBNVCJHJRYJVPK-UHFFFAOYSA-N
• INCHI: 1S/C10H18Si2/c1-11(2,3)9-7-8-10-12(4,5)6/h1-6H3
• Isómeros SMILES: C[Si](C)(C)C#CC#C[Si](C)(C)C
• WGK Alemania: 3
• Número ONU: 1325
• Peso molecular: 194.42
• Beilstein: 1758268
• Reaxy-Rn: 1758268
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1758268&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Clase Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Alkylsilanes
          • Level6 Trialkylsilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Clase: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Alkylsilanes
• Direct Parent: Trialkylsilanes
• Alternative Parents: Organic metalloid salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylsilane - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trialkylsilanes. These are organosilicon compounds containing exactly one alkyl chain attached to the silicon atom.
• 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Sensibilidad: Moisture & Air sensitive.
• Índice de refracción: 1.384
• Punto de fusión (°C): 111-113°C
• Peso molecular: 194.420 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 194.095 Da
• Monoisotopic Mass: 194.095 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 242.000
• 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

Referencias

1. Longqiang Xiao, Shaojun Cai, Qingye Liu, Liqiong Liao, Xin Guo, Yan Li, Xiangxiang Jia, Feifei Li, Lijian Liu.  (2013)  One-step synthesis of polypyrazoles and self-assembled polypyrazole–copper catalysts for click chemistry.  Polymer Chemistry,  5  (2): (607-613).  [PMID:] [10.1039/C3PY01105D]