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379123

Sigma-Aldrich

4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethylxanthene

97%

Synonym(s):

4,5-Dibromo-2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-9H-xanthene, 4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene

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About This Item

Empirical Formula (Hill Notation):
C23H28Br2O
CAS Number:
130525-43-8
Molecular Weight:
480.28
MDL number:
MFCD00134486
UNSPSC Code:
12352100
PubChem Substance ID:
24863616
NACRES:
NA.22

Assay

97%

form

solid

mp

260-262 °C (lit.)

functional group

bromo

SMILES string

CC(C)(C)c1cc(Br)c2Oc3c(Br)cc(cc3C(C)(C)c2c1)C(C)(C)C

InChI

1S/C23H28Br2O/c1-21(2,3)13-9-15-19(17(24)11-13)26-20-16(23(15,7)8)10-14(12-18(20)25)22(4,5)6/h9-12H,1-8H3

InChI key

OJJSJAIHWCFVBK-UHFFFAOYSA-N

Related Categories

General description

4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethylxanthene is a heterocyclic building block.

Application

4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethylxanthene may be used as starting reagent for the synthesis of 4,5-(N,N′-bis-cyclohexylamino)-2,7-di-tert-butyl-9,9-dimethyl-xanthene and oligothiophene tweezer molecule bearing two quaterthiophene moieties.
4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethylxanthene may be used in the synthesis of:
  • 2,7-di-tert-butyl-4,5-diiodo-9,9-dimethylxanthene
  • new NON-donor ligand, 4,5-bis(2,6-diisopropylanilino)-2,7-di-tert-butyl-9,9-dimethylxanthene
  • bis(diethylamino)xantphos, via one-pot metalation reaction and and quenching with bis(diethylamino)chlorophosphine

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
0000245398
0000202074
0000175300
0000183534

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