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

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

CAS No.: 100165-88-6
M. Wt: 678.779
M. Fa: C48H40P2
InChI Key: IOPQYDKQISFMJI-UHFFFAOYSA-N
Appearance: White solid

Names and Identifiers of 100165-88-6

CAS Number

100165-88-6

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

Physical and chemical properties of 100165-88-6

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

252-256 °C

Molecular Formula

C48H40P2

Molecular Weight

678.779

optical activity

[α]20/D -156°, c = 0.5 in benzene

PSA

27.18000

Specific rotation

-160° (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.

Safety Information of 100165-88-6

Pictograms

Signal Word

 Warning

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

Applications of 100165-88-6

The primary applications of 2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl include:

  • Catalysis: As a chiral ligand in various asymmetric synthesis reactions.
  • Pharmaceutical Synthesis: Used in the production of enantiomerically pure compounds for pharmaceuticals.
  • Material Science: Potential applications in developing new materials through metal-ligand interactions.

Interaction Studies of 100165-88-6

Interaction studies involving 2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl often focus on its coordination chemistry with transition metals. These studies reveal insights into how BINAP can stabilize different oxidation states and geometries of metal complexes, influencing their reactivity and selectivity in catalysis.

Physical sample testing spectrum (NMR) of 100165-88-6

Physical sample testing spectrum (NMR) of 100165-88-6

Retrosynthesis analysis of 100165-88-6

  • Route#1

    Cas:1019-71-2
    Cas:128544-05-8
    Cas:100165-88-6