Dicyclohexyliodoborane - ≥97% , CAS No.55382-85-9

CAS: 55382-85-9 Cat. No.: D469348 Formula: C₁₂H₂₂BI Molecular Weight: 304.02 EC Number: 687-074-3

GRADE & PURITY ≥97%

Synonyms

DTXSID60404005 | Dicyclohexyliodoborane, 97% | Dicyclohexyliodoborane | AKOS015915720 | dicyclohexyl(iodo)borane | SCHEMBL8953848

Storage

Room temperature

Overview

Description

Reactant for:Preparation of vinyloxyboranesDicyclohexyliodoborane (Chx2BI) can be used as a reagent:For the enolboration of esters and tertiary amides to synthesize correspondingZorEenolates.In the stereoselective preparation of β-hydroxy-α-trifluoromethyl carboxylic acids via haloborane-mediated diastereoselective aldol addition of aldehydes with trifluoropropanoic acid.In the total synthesis of pordamacrine A, and trocheliophorolide D.

Specifications

Synonyms

DTXSID60404005 | Dicyclohexyliodoborane, 97% | Dicyclohexyliodoborane | AKOS015915720 | dicyclohexyl(iodo)borane | SCHEMBL8953848

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

Canonical Smiles

B(C1CCCCC1)(C2CCCCC2)I

IUPAC Name

dicyclohexyl(iodo)borane

InChIKey

RWFGGTOYIFQXAO-UHFFFAOYSA-N

INCHI

1S/C12H22BI/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2

Isomeric SMILES

B(C1CCCCC1)(C2CCCCC2)I

Molecular Weight

304.02

Reaxy-Rn

3233943

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3233943&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organoboron compounds
        • Level5 Alkylboranes
          • Level6 Alkylhaloboranes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organoboron compounds
• Intermediate Tree Nodes: Alkylboranes
• Direct Parent: Alkylhaloboranes
• Alternative Parents: Organic metalloid salts Dialkylboranes Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Alkylhaloborane - Dialkylborane - Organic metalloid salt - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkylhaloboranes. These are organoboron compounds with the general formula RBX2 or R2BX (R=alkyl, X=halogen).
• 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

Chemical and Physical Properties

• Molecular Weight: 304.020 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 304.086 Da
• Monoisotopic Mass: 304.086 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 142.000
• 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