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

CAS: 106356-53-0 Cat. No.: I466066 分子式: (C₁₀H₁₇)₂BCH₂CH=CH₂ 分子量: 326.37 EC番号: 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

概要

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

同義語

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

仕様と純度

1M in pentane

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

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。

名前と識別子

• カノニカル・スマイル: 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
• 異性体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ドイツ: 3
• 分子量: 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
    • 分類 Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 引火点（°F）: -56.2 °F
• 引火点（°C）: -49 °C
• 分子量: 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

XLogP3