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

CAS: 106356-53-0 Cat. No.: I466066 분자식: (C₁₀H₁₇)₂BCH₂CH=CH₂ 분자량: 326.37 EC 번호: 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

개요

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

동의어

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

사양 및 순도

1M in pentane

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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이름과 식별자

• 정식 스마일: 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
• 이성체 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 독일: 3
• 분자량: 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
    • 분류 Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 발화점(°F): -56.2 °F
• 발화점(°C): -49 °C
• 분자량: 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