Chlorodicyclohexylborane - ≥98% , CAS No.36140-19-9

CAS: 36140-19-9 Cat. No.: C472429 Formule: C₁₂H₂₂BCl Poids moléculaire: 212.57 Numéro CE: 609-212-3

GRADE & PURITY ≥98%

Synonyms

SCHEMBL476478 | PBBOKJIYEZCTEH-UHFFFAOYSA-N | AKOS015915908 | DTXSID90403001 | J-520027 | Chlorodicyclohexylborane | Chlorodicyclohexylborane, 98% | chloro(dicyclohexyl)borane | Dicyclohexylchloroborane | Dicyclohexyl-chloroborane

Storage

Room temperature

Vue d’ensemble

Description

Reactant for:Aldol addition reactionsMukaiyama aldol additionMicrowave assisted ring closing metathesis reactionsC-alkylation of aromatic aldiminesReversible ketone-ketone aldol reactionsSyn- and anti-stereoselective aldol reaction hexenone with aldehydesA convenient reagent for regio- and stereoselective enolboration of ketones and other carbonyl derivatives.

Specifications

Synonymes

SCHEMBL476478 | PBBOKJIYEZCTEH-UHFFFAOYSA-N | AKOS015915908 | DTXSID90403001 | J-520027 | Chlorodicyclohexylborane | Chlorodicyclohexylborane, 98% | chloro(dicyclohexyl)borane | Dicyclohexylchloroborane | Dicyclohexyl-chloroborane

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Pureté

≥98%

Noms et identifiants

Sourires canoniques

B(C1CCCCC1)(C2CCCCC2)Cl

IUPAC Name

chloro(dicyclohexyl)borane

InChIKey

PBBOKJIYEZCTEH-UHFFFAOYSA-N

INCHI

1S/C12H22BCl/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2

Isomères SMILES

B(C1CCCCC1)(C2CCCCC2)Cl

Poids moléculaire

212.57

Reaxy-Rn

3233942

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3233942&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Classe: 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

Propriétés chimiques et physiques

• Poids moléculaire: 212.570 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 212.15 Da
• Monoisotopic Mass: 212.15 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