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Merck
CN

799688

White-Paradine catalyst

Synonym(s):

Manganese 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine chloride, [2,9,16,23-Tetra-tert-butyl-29H,31H-phthalocyanine]manganese(III) chloride, [Mn(t-BuPc)]Cl

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About This Item

Empirical Formula (Hill Notation):
C48H48ClMnN8
Molecular Weight:
827.34
UNSPSC Code:
12352300
PubChem Substance ID:
329768100
NACRES:
NA.22

Key Documents

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SMILES string

CC(C)(C)C(C=C1)=CC2=C1C3=N/C2=N\C4=C5C(C=C(C(C)(C)C)C=C5)=C6N4[Mn](Cl)N7/C(C(C=C(C(C)(C)C)C=C8)=C8/C7=N/C(C9=C/%10C=CC(C(C)(C)C)=C9)=NC%10=N/6)=N\3

InChI

1S/C48H48N8.ClH.Mn/c1-45(2,3)25-13-17-29-33(21-25)41-49-37(29)54-42-35-23-27(47(7,8)9)15-19-31(35)39(51-42)56-44-36-24-28(48(10,11)12)16-20-32(36)40(52-44)55-43-34-22-26(46(4,5)6)14-18-30(34)38(50-43)53-41;;/h13-24H,1-12H3;1H;/q-2;;+3/p-1

InChI key

NRPFPIHGBUOGKJ-UHFFFAOYSA-M

form

powder

reaction suitability

reagent type: catalyst
reaction type: Cross Couplings

Application

The following manganese complex is a catalyst for chemoselective intramolecular C(sp3)—H amination originally reported by the White research group.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
MKBX5923
MKBX5923V

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Paradine, SM, et al.
Nature Chemistry (2015)

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