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Merck
CN

663085

(5S)-(−)-2,2,3-Trimethyl-5-benzyl-4-imidazolidinone dichloroacetic acid

97%

Synonym(s):

(5S)-2,2,3-Trimethyl-5-phenylmethyl-4-imidazolidinone dichloroacetic acid

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About This Item

Empirical Formula (Hill Notation):
C15H20Cl2N2O3
CAS Number:
345358-20-5
Molecular Weight:
347.24
NACRES:
NA.22
PubChem Substance ID:
24884183
UNSPSC Code:
12352005
MDL number:
MFCD08276841

Key Documents

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Product Name

(5S)-(−)-2,2,3-Trimethyl-5-benzyl-4-imidazolidinone dichloroacetic acid, 97%

InChI

1S/C13H18N2O.C2H2Cl2O2/c1-13(2)14-11(12(16)15(13)3)9-10-7-5-4-6-8-10;3-1(4)2(5)6/h4-8,11,14H,9H2,1-3H3;1H,(H,5,6)/t11-;/m0./s1

SMILES string

OC(=O)C(Cl)Cl.CN1C(=O)[C@H](Cc2ccccc2)NC1(C)C

InChI key

YZRAPAXOLQHZSE-MERQFXBCSA-N

assay

97%

mp

122-126 °C

functional group

carboxylic acid
chloro
phenyl

Quality Level

100

Related Categories

Application

Utilized in the first example of organocatalytic enantioselective α-fluorination of aldehydes.

Legal Information

U.S. Pat. 6,369,243 and related patents apply. For research purposes only.

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKCG7340
MKBG3031V
MKBD0849
10829BJ
07728LD

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Teresa D Beeson et al.
Journal of the American Chemical Society, 127(24), 8826-8828 (2005-06-16)
The first direct enantioselective catalytic alpha-fluorination of aldehydes has been accomplished. The use of enamine catalysis has provided a new organocatalytic strategy for the enantioselective fluorination of aldehydes to generate alpha-fluoro aldehydes, an important chiral synthon for medicinal agent synthesis.

Articles

Macmillan Imidazolidinone Organocatalysts

Discover Professor David MacMillan's groundbreaking metal-free asymmetric catalysis using imidazolidinone-based organocatalysts for versatile transformations.

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