2,2,6,6-Tetramethylpiperidinylmagnesium chloride lithium chloride complex structure

3D Mol Similar

2,2,6,6-Tetramethylpiperidinylmagnesium chloride lithium chloride complex

: Iupac Name：lithium;magnesium;2,2,6,6-tetramethylpiperidin-1-ide;dichloride; CAS No.: 898838-07-8; Molecular Weight：242.4; Modify Date.: 2023-03-15 05:24

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1. Names and Identifiers

: 1.1 Name; 2,2,6,6-Tetramethylpiperidinylmagnesium chloride lithium chloride complex; 1.2 Synonyms; 2,2,6,6-Tetramethylpiperidinylmagnesium chloride lithium chloride complex solution 2,2,6,6-TetraMethylpiperidinylMagnesiuM chloride lithiuM chloride coMplex solution 1.0 M in THF/toluene Dichloro(2,2,6,6-tetramethylpiperidinato)magnesate(1-) lithium Dichloro(2,2,6,6-tetramethylpiperidinato)magnesate(1-) lithium (1:1) Dichloro(2,2,6,6-tetramethylpiperidinato)magnesate(1:1) Lithium magnesium chloride 2,2,6,6-tetramethylpiperidin-1-ide (1/1/2/1) Lithium magnesium chloride 2,2,6,6-tetramethylpiperidin-1-ide (1:1:2:1) lithium,magnesium,2,2,6,6-tetramethylpiperidin-1-ide,dichloride Magnesate(1-), dichloro(2,2,6,6-tetramethylpiperidinato)-, lithium (1:1) MFCD12546030 Piperidine, 2,2,6,6-tetramethyl-, lithium magnesium salt, hydrochloride (1:1:1:2) piperidinyL; View all

1.3 CAS No.: 898838-07-8

1.4 CID: 25150783

1.5 Molecular Formula: C9H18Cl2LiMgN (isomer)

1.6 Inchi: InChI=1S/C9H18N.2ClH.Li.Mg/c1-8(2)6-5-7-9(3,4)10-8;;;;/h5-7H2,1-4H3;2*1H;;/q-1;;;+1;+2/p-2

1.7 InChIkey: JHBZAAACZVPPRQ-UHFFFAOYSA-L

1.8 Canonical Smiles: [Li+].CC1(C)CCCC(C)(C)[N-]1[Mg++]([Cl-])[Cl-]

1.9 Isomers Smiles: [Li+].CC1(CCCC([N-]1)(C)C)C.[Mg+2].[Cl-].[Cl-]

2. Properties

2.1 Density: 0.96g/mLat 25℃

2.1 Flash Point: -15°C

2.1 StorageTemp: 2-8°C

3. Safety and Handling

3.1 Hazard Codes: F,C

3.1 Risk Statements: 63-11-14-19-34-37-40

3.1 Safety Statements: 16-26-36/37/39-45

3.1 RIDADR: UN 3399 4.3/PG 1

3.1 WGK Germany: 3

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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5. Other Information

5.0 Uses: 2,2,6,6-Tetramethylpiperidinylmagnesium Chloride Lithium Chloride Complex is used in preparation of Pyridazinones as herbicides. Also, used in preparation of MCL-1 inhibitors useful for treatment of cancer.

5.1 Uses: 2,2,6,6-Tetramethylpiperidinylmagnesium chloride lithium chloride complex deprotonations using Knochel-Hauser-Base

5.2 Uses: 2,2,6,6-Tetramethylpiperidinylmagnesium chloride lithium chloride complex is a non-nucleophilic Knochel-Hauser base mainly used for the magnesiation of functionalized arenes and heteroarenes to prepare the corresponding Grignard reagents. It can also be used as a base in the synthesis of Π-conjugated polymers via catalyst-transfer polycondensation.

6. Computational chemical data

Molecular Weight: 242.4g/mol
Molecular Formula: C₉H₁₈Cl₂LiMgN
Compound Is Canonicalized: True
XLogP3-AA:
Exact Mass: 241.0826751
Monoisotopic Mass: 241.0826751
Complexity: 111
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 1
Heavy Atom Count: 14
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 5
CACTVS Substructure Key Fingerprint: AAADcehyAAAGACAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHAAAAAAADIiBAAACAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAgAAEAAAAAACAAAEQgEAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

7. Question & Answer

How can 2,2,6,6-Tetramethylpiperidinylmagnesium chloride lithium chloride complex be prepared and used for deprotonation of aromatic compounds? Aug 04 2021
Background and Overview[1] Paul Knochel et al. reported the application of 2,2,6,6-Tetramethylpiperidinylmagnesium chloride lithium chloride complex (CAS No. 898838-07-8) for the deprotonation of arom..

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