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Merck
CN

405000

(−)-2,2′-Isopropylidenebis[(4S)-4-phenyl-2-oxazoline]

97%

Synonym(s):

(S,S)-2,2′-Isopropylidenebis(4-phenyl-2-oxazoline), (S,S)-2,2-Bis(4-phenyl-2-oxazolin-2-yl)propane

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About This Item

Empirical Formula (Hill Notation):
C21H22N2O2
CAS Number:
131457-46-0
Molecular Weight:
334.41
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
24865286
MDL number:
MFCD00192245
Beilstein/REAXYS Number:
4266906

Key Documents

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Product Name

(−)-2,2′-Isopropylidenebis[(4S)-4-phenyl-2-oxazoline], 97%

InChI

1S/C21H22N2O2/c1-21(2,19-22-17(13-24-19)15-9-5-3-6-10-15)20-23-18(14-25-20)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m1/s1

SMILES string

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

InChI key

JTNVCJCSECAMLD-QZTJIDSGSA-N

assay

97%

optical activity

[α]20/D −160°, c = 1 in ethanol

bp

193 °C/0.03 mmHg (lit.)

mp

37-41 °C (lit.)

density

1 g/mL at 25 °C (lit.)

functional group

ether
phenyl

storage temp.

−20°C

Quality Level

100

Related Categories

Application

C2 symmetric ligand for enantioselective catalysis. Easily forms bidentate coordination complexes due to the strong affinity of the oxazoline nitrogen for various metals.

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

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Certificates of Analysis (COA)

Lot/Batch Number
MKCM0648
MKBT2302V
MKBH5818V
MKBC5465V
MKBC5465

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Pfaltz, A.
Accounts of Chemical Research, 26, 339-339 (1993)
Gant, T.G. Meyers, A.I.
Tetrahedron, 50, 2297-2297 (1994)
Bolm, C.
Angewandte Chemie (International Edition in English), 30, 542-542 (1991)

Articles

C2-symmetric chiral bisoxazolines (BOX) ligands

BOX ligand complex enhances catalytic enantioselective aziridination of styrene, with phenyl substituents proving superior over t-Bu groups.

C2型轴对称手性双噁唑啉（BOX）配体

使用络合Cu(I)OTf的BOX配体进行不对称催化苯乙烯合成氮杂环丙烷的反应，BOX配体带苯基取代基的优于具有位阻需求的叔丁(t-Bu)基团。

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