12249-22-8

Basic information

• Product Name: ferrocene-1,1' diylbis(diphenylmethanol)
• Synonyms: ferrocene-1,1' diylbis(diphenylmethanol)
• CAS NO: 12249-22-8
• Molecular Weight: 550.48
• Mol File: 12249-22-8.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: ferrocene-1,1' diylbis(diphenylmethanol)(CAS DataBase Reference)
• NIST Chemistry Reference: ferrocene-1,1' diylbis(diphenylmethanol)(12249-22-8)
• EPA Substance Registry System: ferrocene-1,1' diylbis(diphenylmethanol)(12249-22-8)

Safety Data

• Hazardous Substances Data: 12249-22-8(Hazardous Substances Data)

Upstream product

• 166770-13-4 ferrocene-1,1'-diylbis(diphenylmethanol) * 1,4-diazabicyclo[2.2.2]octane 
• 12180-80-2 1,1’-dibenzoylferrocene 
• 591-51-5 phenyllithium 
• 102-54-5 ferrocene 
• 119-61-9 benzophenone 

Downstream Products

• 223386-13-8 Fe(C₅H₄C(C₆H₅)2O)2Ti(OCH(CH₃)2)2 
• 166770-14-5 ferrocene-1,1'-diylbis(diphenylmethanol) * 1,4-dimethylpiperazine 
• 166770-13-4 ferrocene-1,1'-diylbis(diphenylmethanol) * 1,4-diazabicyclo[2.2.2]octane 

Relevant articles and documents

Hydrogen-bonded Adducts of Ferrocene-1,1'-diylbis(diphenylmethanol): Crystal and Molecular Structures of Adducts with Methanol (1:1) and Pyridine (1:2)

Ferrocene-1,1'-diylbis(diphenylmethanol), , forms hydrogen-bonded host-guest adducts with a wide range of hydrogen-bond donors and acceptors.Adducts with a diol:guest ratio of 1:1 were formed by MeOH, EtOH, Me2SO, Me2NCHO, piperazine, and 4,4'-bipyridyl and 1:2 adducts by Me2SO, dioxane, pyridine and piperidine.The 1:1 adduct with MeOH has been shown to be triclinic, space group P with a = 8.7624(3), b = 12.2797(6), c = 14.8773(8) Angstroem, α = 106.572(4), β = 97.879(4), γ = 100.873(4) deg with a final R of 0.044 for 4982 observed reflections.The structure consists of a centrosymmetric assembly of two molecules of diol and two molecules of the guest MeOH, hydrogen bonded together to form a chair conformation (OH)6 ring.The 1:2 adduct with pyridine has been shown to be monoclinic, space group C2/c with a = 16.6252(10), b = 11.1016(9), c = 20.9440(16) Angstroem, β = 107.855(6) deg with a final R of 0.042 for 3260 observed reflections.In the structure the diol lies on a two-fold rotation axis with its hydroxyl hydrogens disordered and participating in both intramolecular O-H...O and intermolecular O-H...N hydrogen bonding with the two pyridine guest molecules.

Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol) with nitrogenous bases: crystal and molecular structure of the 2:1 adduct with hexamethylenetetramine

Ferrocene-1,1'-diylbis(diphenylmethanol), forms hydrogen-bonded host-guest adducts with nitrogenous bases.A 2:1 adduct is formed with hexamethylenetetramine, , 1:1 adducts with 1,4-dimethylpiperazine and 1,4-diazabicyclooctane and a 1:2 adduct with 3-pyridylferrocene.The crystal structure of the hexamethylenetetramine adduct has been determined.The structural unit contains two molecules of the host ferrocenediol and one molecule of the guest; the diol forms both intramolecular O-H...O and intermolecular O-H...N hydrogen bonds, but two of the four nitrogen atoms in the guest molecules play no part in the hydrogen bonding.Keywords: Iron; Ferrocene; Host-guest adducts; Hydrogen bonding; Crystal structure