(+)-Ipc₂B(allyl)borane solution - 1M in pentane , CAS No.106356-53-0

CAS: 106356-53-0 Cat. No.: I466066 Fórmula: (C₁₀H₁₇)₂BCH₂CH=CH₂ Peso molecular: 326.37 Número EC: 628-167-0

GRADE & PURITY 1M in pentane

Synonyms

J-001580 | (+)-Ipc2B(allyl), 1M in dioxane | DTXSID00450243 | allylbis((1S,2R,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)borane | AKOS025294027 | ZIXZBDJFGUIKJS-AXSQLCHVSA-N | prop-2-enyl-bis[(1S,2R,3S,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]bor

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Description

This allylboration reagent is a convenient, salt-free, stable solution of a chiral allyl borane for asymmetric allylation of aldehydes leading to chiral homoallylic alcohols.

Specifications

Sinónimos

J-001580 | (+)-Ipc2B(allyl), 1M in dioxane | DTXSID00450243 | allylbis((1S,2R,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)borane | AKOS025294027 | ZIXZBDJFGUIKJS-AXSQLCHVSA-N | prop-2-enyl-bis[(1S,2R,3S,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]bor

Especificaciones y pureza

1M in pentane

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Nombres e identificadores

• Sonrisas canónicas: B(CC=C)(C1CC2CC(C1C)C2(C)C)C3CC4CC(C3C)C4(C)C
• IUPAC Name: prop-2-enyl-bis[(1S,2R,3S,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane
• InChIKey: ZIXZBDJFGUIKJS-AXSQLCHVSA-N
• INCHI: 1S/C23H39B/c1-8-9-24(20-12-16-10-18(14(20)2)22(16,4)5)21-13-17-11-19(15(21)3)23(17,6)7/h8,14-21H,1,9-13H2,2-7H3/t14-,15-,16+,17+,18-,19-,20-,21-/m0/s1
• Isómeros SMILES: B(CC=C)([C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C
• WGK Alemania: 3
• Peso molecular: 326.37
• Reaxy-Rn: 4192813
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4192813&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Trialkylboranes Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Pinane monoterpenoid - Trialkylborane - Alkylborane - Hydrocarbon derivative - Organic metalloid moeity - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• 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

• Punto de inflamación (°F): -56.2 °F
• Punto de inflamación (°C): -49 °C
• Peso molecular: 326.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 326.314 Da
• Monoisotopic Mass: 326.314 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 476.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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

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