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650897

(4S,4′S)-(−)-2,2′-(3-Pentylidene)bis(4-isopropyloxazoline)

Name: (4<I>S</I>,4′<I>S</I>)-(−)-2,2′-(3-Pentylidene)bis(4-isopropyloxazoline)
Brand: ALDRICH

97%

Synonym(s):

(4S,4′S)-(−)-2,2′-(1-Ethylpropylidene)bis(4,5-dihydro-4-isopropyloxazole), [S-(R*,R*)]-(−)-2,2′-(1-Ethylpropylidene)bis(4,5-dihydro-4-isopropyloxazole)

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About This Item

Empirical Formula (Hill Notation):

C₁₇H₃₀N₂O₂

CAS Number:

160191-65-1

Molecular Weight:

294.43

NACRES:

NA.22

PubChem Substance ID:

24883790

UNSPSC Code:

12352005

MDL number:

MFCD03427142

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Properties

Quality Segment

100

assay

97%

reaction suitability

reagent type: chrial catalyst

manufacturer/tradename

ECACC

refractive index

n20/D 1.4710 (lit.)

bp

120 °C/0.001 mmHg (lit.)

density

1.002 g/mL at 25 °C (lit.)

functional group

ether

SMILES string

CCC(CC)(C1=N[C@H](CO1)C(C)C)C2=N[C@H](CO2)C(C)C

InChI

1S/C17H30N2O2/c1-7-17(8-2,15-18-13(9-20-15)11(3)4)16-19-14(10-21-16)12(5)6/h11-14H,7-10H2,1-6H3/t13-,14-/m1/s1

InChI key

PIJFQTUSLZLNOP-ZIAGYGMSSA-N

Description

Application

(4S,4′S)-(−)-2,2′-(3-Pentylidene)bis(4-isopropyloxazoline) is a bisoxazoline that can be used as a ligand:

To prepare [¹¹C]carboxylic acids, [¹¹C]esters and [¹¹C]amides using boronic acid esters and ¹¹CO₂.
In one of the key synthetic steps for the total synthesis of tatanan A and 3-epi-tatanan A.
To prepare copper(I) complex and used in a mass spectrometric method to study its chiral selectivity with different substrates.

Pictograms

GHS07

Signal Word

Warning

Hazard Codes

H315,H319,H335

Precautionary Statements

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class

10 - Combustible liquids

WGK

WGK 3

Flash Point (°F)

180.0 °F - closed cup

Flash Point (°C)

82.22 °C - closed cup

PPE (personal protective equipment)

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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