Key Documents

673374

2,2′-[(1R,2R)-1,2-Cyclohexanediylbis[(E)-(nitrilomethylidyne)]]bis[4-(tert-butyl)-6-(1-piperidinylmethyl)phenol]

Name: 2,2′-[(1R,2R)-1,2-Cyclohexanediylbis[(E)-(nitrilomethylidyne)]]bis[4-(tert-butyl)-6-(1-piperidinylmethyl)phenol]
Brand: ALDRICH

97%

Synonym(s):

N,N′-Bis[(E)-5-(tert-butyl)-2-hydroxy-3-(1-piperidinylmethyl)benzylidene]-[(1R,2R)-1,2-cyclohexanediamine]

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About This Item

Empirical Formula (Hill Notation):

C₄₀H₆₀N₄O₂

CAS Number:

478282-28-9

Molecular Weight:

628.93

MDL number:

MFCD10566982

UNSPSC Code:

12352005

PubChem Substance ID:

329760548

NACRES:

NA.22

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Properties

Quality Segment

100

assay

97%

form

solid

mp

69-78 °C

functional group

imine

SMILES string

CC(C)(C)c1cc(CN2CCCCC2)c(O)c(\C=N\[C@@H]3CCCC[C@H]3\N=C\c4cc(cc(CN5CCCCC5)c4O)C(C)(C)C)c1

InChI

1S/C40H60N4O2/c1-39(2,3)33-21-29(37(45)31(23-33)27-43-17-11-7-12-18-43)25-41-35-15-9-10-16-36(35)42-26-30-22-34(40(4,5)6)24-32(38(30)46)28-44-19-13-8-14-20-44/h21-26,35-36,45-46H,7-20,27-28H2,1-6H3/b41-25+,42-26+/t35-,36-/m1/s1

InChI key

QWZFCHMBYWXSLV-RUMICSQKSA-N

Description

Application

2,2′-[(1R,2R)-1,2-Cyclohexanediylbis[(E)-(nitrilomethylidyne)]]bis[4-(tert-butyl)-6-(1-piperidinylmethyl)phenol] can be used to prepare the piperidine salen-titanium metal complex, which is applicable as a catalyst in the alkylations of α-ketoesters using dialkylzinc.

pictograms

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

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

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number

01820DE

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Development of bifunctional salen catalysts: Rapid, chemoselective alkylations of α-ketoesters

DiMauro EF and Kozlowski MC

Journal of the American Chemical Society, 124(43), 12668-12669 (2002)

Global Trade Item Number

SKU	GTIN
673374-250MG	04061832986975