| Identification | Back Directory | [Name]
N,N'-bis(2,6-bis(diphenylmethyl)-4-methylphenyl)imidazolium chloride | [CAS]
1218778-19-8 | [Synonyms]
1,3-Bis(2,6-dibenzhydryl-4-methylphenyl)-1H-imidazol-3-ium chloride
N,N'-bis(2,6-bis(diphenylmethyl)-4-methylphenyl)imidazolium chloride | [Molecular Formula]
C69H57ClN2 | [MDL Number]
MFCD31580175 | [MOL File]
1218778-19-8.mol | [Molecular Weight]
949.68 |
| Chemical Properties | Back Directory | [Melting point ]
>300 °C | [storage temp. ]
RT, stored under nitrogen | [form ]
powder | [Appearance]
Off-white to light brown Solid | [InChIKey]
QHZHZYZARMCFPU-UHFFFAOYSA-M | [SMILES]
C1=NC=C[N+]1(C1=C(C(C2=CC=CC=C2)C2=CC=CC=C2)C=C(C)C=C1C(C1=CC=CC=C1)C1=CC=CC=C1)C1=C(C(C2=CC=CC=C2)C2=CC=CC=C2)C=C(C)C=C1C(C1=CC=CC=C1)C1=CC=CC=C1.[Cl-] |
| Hazard Information | Back Directory | [Chemical Properties]
A white solid. | [Uses]
N,N'-bis(2,6-bis(diphenylmethyl)-4-methylphenyl)imidazolium chloride is a bulky, flexible NHC ligand used for organometallic catalysis. | [Preparation]
(1E,2E)-N1,N2-bis(2,6-bis(diphenylmethyl)-4-methylphenyl)ethane-1,2-diimine (6.14 g, 6.81 mmol) in THF (235 mL) was added to paraformaldehyde (204 mg, 6.81 mmol), anhydrous zinc chloride (928 mg, 6.81 mmol) at 70 °C. After that, HCl in dioxane (4 M, 2.56 mL,10.2 mmol) was added dropwise. After 5 h, at 70 °C, the mixture was concentrated under reduced pressure followed by flash column chromatography over silica gel with CH2Cl2-MeOH (9:1) to give the pale pink solid, which was further purified recrystallization (CH2Cl2-n-hexane) gave 1,3-Bis(2,6-dibenzhydryl-4-methylphenyl)-1H-imidazol-3-ium chloride.
| [reaction suitability]
reagent type: catalyst
reaction type: Cross Couplings | [storage]
Keep in dark place, Inert atmosphere, Room temperature |
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ChemicalRIM Co., Ltd
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15184345951 |
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