Structure of 1,1'-Bis(di-i-propylphosphino)ferrocene CAS 97239-80-0

Iden­ti­fi­ca­tion

CAS Number

97239-80-0

Name

1,1′-Bis(di-i-propylphosphino)ferrocene

Syn­onyms

1,1′-Bis(diisopropylphosphino)ferrocene
[ACD/IUPAC Name]
1,2,3,4,5-Cyclopentanepentayl, 1-[bis(1-methylethyl)phosphino]-, iron salt (2:1)
[ACD/​Index Name]
1-(Diisopropylphosphino)-1,2,3,4,5-cyclopentanepentayl – fer (2:1)
[French]
[ACD/IUPAC Name]
1-(Diisopropylphosphino)-1,2,3,4,5-cyclopentanepentayl – iron (2:1)
[ACD/IUPAC Name]
1-(Diisopropylphosphino)-1,2,3,4,5-cyclopentanpentayl -eisen (2:1)
[Ger­man]
[ACD/IUPAC Name]
97239-80-0
[RN]
MFCD02684559
[MDL number]

SMILES

CC(C)P([C]1[CH][CH][CH][CH]1)C(C)C.CC(C)P([C]1[CH][CH][CH][CH]1)C(C)C.[Fe]

Std­InChI

InChI=1S/2C11H23P.Fe/​c21-9(2)12(10(3)4)11-7-5-6-8-11;/h29-11H,5-8H2,1-4H3 ;

Std­InChIKey

XUU­UHBFN­N­JS­­DAR-UHF­F­­FAOYSA-N

Mol­e­c­u­lar Formula

C22H36FeP2

Mol­e­c­u­lar Weight

418.323

MDL Number

MFCD02684559

Prop­er­ties

Appear­ance

Orange yel­low powder

Melt­ing Point

50-52 °C

Safe­ty Data

RIDADR 

NONH for all modes of transport

WGK Germany

3

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our 1,1′-Bis(di-i-propylphosphino)ferrocene CAS 97239-80-0

Iden­ti­fi­ca­tion Methods

HNMR, HPLC

Puri­ty

98% min

Shelf Life

2 years

Stor­age

Under room tem­per­a­ture away from light

Known Appli­ca­tion

  1. Homo­ge­neous cat­a­lyst lig­and
    DiPPF is wide­ly used in homo­ge­neous cat­alyt­ic reac­tions, espe­cial­ly in tran­si­tion met­al cat­alyt­ic reac­tions, such as pal­la­di­um-cat­­a­lyzed cross-cou­­pling reac­tions (such as Suzu­ki, Heck, Stille and Sono­gashira reac­tions). Its diphos­phine lig­and struc­ture can effec­tive­ly sta­bi­lize tran­si­tion met­al cen­ters such as pal­la­di­um, rhodi­um and nick­el, there­by improv­ing the activ­i­ty and selec­tiv­i­ty of the cat­a­lyst. Due to its steric hin­drance and elec­tron­ic effects, DiPPF can sig­nif­i­cant­ly improve the yield and effi­cien­cy of cat­alyt­ic reac­tions and has impor­tant appli­ca­tions in the syn­the­sis of com­plex organ­ic molecules.
  2. Drug syn­the­sis
    In phar­ma­ceu­ti­cal chem­istry, 1,1′-bis(diisopropylphosphino)ferrocene can be used as a cat­a­lyst lig­and to syn­the­size bio­log­i­cal­ly active drug mol­e­cules. Its cat­alyt­ic sys­tem helps to reduce side reac­tions and improve the selec­tiv­i­ty of tar­get prod­ucts, which is of great sig­nif­i­cance in the devel­op­ment of new drugs.
  3. Fine chem­i­cal syn­the­sis
    DiPPF is wide­ly used in the syn­the­sis of fine chem­i­cals, fra­grances and agri­cul­tur­al chem­i­cals, espe­cial­ly chem­i­cal reac­tions that require high selec­tiv­i­ty and high effi­cien­cy. Due to its sig­nif­i­cant pro­mo­tion of pal­la­di­um-cat­­a­lyzed cou­pling reac­tions, var­i­ous com­plex aro­mat­ic and olefin com­pounds can be synthesized.
  4. Mate­ri­als Sci­ence
    In mate­ri­als sci­ence, DiPPF can be used to syn­the­size organ­ic elec­tron­ic mate­ri­als and func­tion­al poly­mers, such as mate­ri­als for organ­ic light-emit­t­ing diodes (OLEDs) and organ­ic pho­to­volta­ic cells (OPVs). Its lig­and effect helps to reg­u­late the elec­tron­ic prop­er­ties of met­al cen­ters, there­by improv­ing the opto­elec­tron­ic prop­er­ties of materials.
  5. Aca­d­e­m­ic Research
    In aca­d­e­m­ic research, 1,1′-bis(diisopropylphosphino)ferrocene is wide­ly used as a mod­el lig­and to study met­al-lig­and inter­ac­tions, cat­alyt­ic reac­tion mech­a­nisms, and the devel­op­ment of new cat­alyt­ic sys­tems. It is used as a tool in coor­di­na­tion chem­istry to study dif­fer­ent met­al com­plex­es and to explore the struc­­ture-activ­i­­ty rela­tion­ship of catalysts.

Gen­er­al View of Documents

This prod­uct is devel­oped by our R&D com­pa­ny Warshel Chem­i­cal Ltd (https://​www​.warshel​.com/).

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