Key Documents

417068

(4S)-(+)-Phenyl-α-[(4S)-phenyloxazolidin-2-ylidene]-2-oxazoline-2-acetonitrile

Name: (4<I>S</I>)-(+)-Phenyl-α-[(4<I>S</I>)-phenyloxazolidin-2-ylidene]-2-oxazoline-2-acetonitrile
Brand: ALDRICH

97%

Synonym(s):

(S,S)-4-Phenyl-α-(4-phenyloxazolidin-2-ylidene)-2-oxazoline-2-acetonitrile

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About This Item

Empirical Formula (Hill Notation):

C₂₀H₁₇N₃O₂

CAS Number:

150639-33-1

Molecular Weight:

331.37

NACRES:

NA.22

PubChem Substance ID:

24866118

UNSPSC Code:

12352005

MDL number:

MFCD00192394

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Properties

ligand

BOX

Quality Segment

200

assay

97%

form

solid

optical activity

[α]20/D +364°, c = 1 in chloroform

manufacturer/tradename

ECACC

mp

146-148 °C (lit.)

functional group

ether, nitrile, phenyl

SMILES string

N#C\C(=C1\N[C@H](CO1)c2ccccc2)C3=N[C@H](CO3)c4ccccc4

InChI

1S/C20H17N3O2/c21-11-16(19-22-17(12-24-19)14-7-3-1-4-8-14)20-23-18(13-25-20)15-9-5-2-6-10-15/h1-10,17-18,22H,12-13H2/b19-16-/t17-,18-/m1/s1

InChI key

QVVGSAYHUSBCQV-SRKGJJLTSA-N

Description

General description

(4S)-(+)-Phenyl-α-[(4S)-phenyloxazolidin-2-ylidene]-2-oxazoline-2-acetonitrile is a C₂-symmetric chiral bisoxazoline (BOX) ligand.

Application

(4S)-(+)-Phenyl-α-[(4S)-phenyloxazolidin-2-ylidene]-2-oxazoline-2-acetonitrile/Re(V)-oxo complex can catalyze the asymmetric hydrosilylation of ketones.

Ligand for enantioselective catalysis. Easily forms bidentate coordination complexes due to the strong affinity of the oxazoline nitrogen for various metals.

Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

PPE (personal protective equipment)

dust mask type N95 (US), Eyeshields, Gloves

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