structure of 2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl

2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl

CAS No.: 99646-28-3
M. Wt: 678.779
M. Fa: C48H40P2
InChI Key: IOPQYDKQISFMJI-UHFFFAOYSA-N
Appearance: Off white solid

Names and Identifiers of 99646-28-3

CAS Number

99646-28-3

EC Number

623-900-0

MDL Number

MFCD01311709

IUPAC Name

[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane

InChI

InChI=1S/C48H40P2/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42/h5-32H,1-4H3

InChIKey

IOPQYDKQISFMJI-UHFFFAOYSA-N

Canonical SMILES

CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C

UNSPSC Code

12352100

Physical and chemical properties of 99646-28-3

Boiling Point

754.4±60.0 °C at 760 mmHg

Exact Mass

678.260498

Flash Point

438.8±39.2 °C

H Bond Acceptors

0

H Bond Donors

0

LogP

15.22

Melting Point

255-257 °C

Molecular Formula

C48H40P2

Molecular Weight

678.779

optical activity

[α]20/D +162°, c = 0.5 in benzene

PSA

27.18000

Specific rotation

+156° (c 0.5, C6H6)

Storage condition

Inert atmosphere,Room Temperature

Vapour Pressure

0.0±2.4 mmHg at 25°C

Water Solubility

Insoluble in water.

λmax

223nm(EtOH)(lit.)

Safety Information of 99646-28-3

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 99646-28-3

2,2'-Bis(diphenylphosphino)-1,1'-binaphthylSimilar binaphthyl core but with phenyl groupsAsymmetric catalysis2,2'-Bis(4-methylphenylphosphino)-1,1'-binaphthylContains methyl groups on phenyl ringsUsed in hydrogenation reactions(S)-(-)-T-BINAPEnantiomer of T-BINAPCatalyzes asymmetric reactions

Interaction Studies of 99646-28-3

Interaction studies involving 2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl primarily focus on its behavior with metal catalysts. Research indicates that the ligand forms strong chelation complexes with transition metals, significantly influencing their reactivity and selectivity in chemical transformations. Studies have shown that varying the metal center can lead to different catalytic outcomes, emphasizing the importance of ligand-metal interactions in catalysis.

Physical sample testing spectrum (NMR) of 99646-28-3

Physical sample testing spectrum (NMR) of 99646-28-3

Retrosynthesis analysis of 99646-28-3

  • Route#1

    Cas:74866-28-7
    Cas:99646-28-3

  • Route#2

    Cas:1019-71-2
    Cas:128544-05-8
    Cas:99646-28-3

  • Route#3

    Cas:128544-05-8
    Cas:1342819-36-6
    Cas:99646-28-3