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720151

Sigma-Aldrich

(S)-2-(2-Bromophenyl)-4-isopropyl-5,5-dimethyl-4,5-dihydrooxazole

96%

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About This Item

Empirical Formula (Hill Notation):
C14H18BrNO
Molecular Weight:
296.20
MDL number:
MFCD16621469
UNSPSC Code:
12352005
PubChem Substance ID:
329763705
NACRES:
NA.22

assay

96%

form

liquid

optical activity

[α]22/D −41.0°, c = 0.5 in chloroform

refractive index

n20/D 1.541

density

1.247 g/mL at 25 °C

functional group

bromo
ether

SMILES string

CC1(C)[C@H](C(C)C)N=C(C2=CC=CC=C2Br)O1

InChI

1S/C14H18BrNO/c1-9(2)12-14(3,4)17-13(16-12)10-7-5-6-8-11(10)15/h5-9,12H,1-4H3/t12-/m0/s1

InChI key

SJKCCGPXYWNYGX-LBPRGKRZSA-N

Application

(S)-2-(2-Bromophenyl)-4-isopropyl-5,5-dimethyl-4,5-dihydrooxazole can be used as a key intermediate for the preparation of (S)-5,5-(dimethyl)-i-Pr-PHOX, a chiral ligand employed in the palladium-catalyzed asymmetric transformations.[1]

Storage Class

10 - Combustible liquids

wgk_germany

nwg

flash_point_f

>230.0 °F - closed cup

flash_point_c

> 110 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
MKBD5082
MKBC7652

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Design, Synthesis, and Applications of Potential Substitutes of t-Bu-Phosphinooxazoline in Pd-Catalyzed Asymmetric Transformations and Their Use for the Improvement of the Enantioselectivity in the Pd-Catalyzed Allylation Reaction of Fluorinated Allyl Enol Carbonates
Belanger E, et al.
The Journal of Organic Chemistry, 77(1), 317-331 (2012)

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