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Merck
CN

677558

(S)-(−)-2-[(1-Hydroxy-3,3-dimethylbutan-2-ylimino)methyl]-4,6-diiodophenol

97%

Synonym(s):

2-[[[(1S)-1-(Hydroxymethyl)-2,2-dimethylpropyl]imino]methyl]-4,6-diiodophenol

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About This Item

Empirical Formula (Hill Notation):
C13H17I2NO2
CAS Number:
477339-39-2
Molecular Weight:
473.09
NACRES:
NA.22
PubChem Substance ID:
24885382
UNSPSC Code:
12352101
MDL number:
MFCD09038443

Key Documents

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InChI

1S/C13H17I2NO2/c1-13(2,3)11(7-17)16-6-8-4-9(14)5-10(15)12(8)18/h4-6,11,17-18H,7H2,1-3H3/b16-6+/t11-/m1/s1

SMILES string

CC(C)(C)[C@@H](CO)\N=C\c1cc(I)cc(I)c1O

InChI key

WVBNUUNXQNMMOB-OHUUDMDPSA-N

assay

97%

form

solid

optical activity

[α]20/D -19°, c = 3% in acetone

mp

164-168 °C

storage temp.

2-8°C

Application

Useful in catalytic asymmetric sulfoxidation of alkyl aryl sulfides and in the kinetic resolution of alkyl aryl sulfoxides.

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
02629KE

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Vanadium-catalyzed sulfur oxidation/kinetic resolution in the synthesis of enantiomerically pure alkyl aryl sulfoxides.
Carmelo Drago et al.
Angewandte Chemie (International ed. in English), 44(44), 7221-7223 (2005-10-18)
Pelotier, B. et al.
Synlett, 1055-1055 (2002)

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