[2-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)phenyl]lithium

Base Information

• Chemical Name: [2-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)phenyl]lithium
• CAS No.: 66464-21-9
• Molecular Formula: C₁₁H₁₂LiNO
• Molecular Weight: 181.163
• DSSTox Substance ID: DTXSID501207737
• Mol file: 66464-21-9.mol

Synonyms:SCHEMBL10517864;DTXSID501207737;[2-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)phenyl]lithium;66464-21-9

Chemical Property of [2-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)phenyl]lithium

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 181.10789244
• Heavy Atom Count: 14
• Complexity: 337

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: [Li+].CC1(COC(=N1)C2=CC=CC=[C-]2)C

Technology Process of [2-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)phenyl]lithium

There total 2 articles about [2-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)phenyl]lithium which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4,5-dihydro-4,4-dimethyl-2-phenoxazole (19312-06-2) → 2-(2-lithiophenyl)-4,4-dimethyl-Δ2-oxazoline (66464-21-9)

Guidance literature:

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; at -40 ℃; Further Variations:; Solvents; Kinetics;

DOI:10.1021/ja068057u

Reference yield:

2-Amino-2-methyl-1-propanol (124-68-5) + benzonitrile (100-47-0) → 2-(2-lithiophenyl)-4,4-dimethyl-Δ2-oxazoline (66464-21-9)

Guidance literature:

2-Amino-2-methyl-1-propanol; benzonitrile; With cadmium(II) acetate dihydrate; In chlorobenzene; Inert atmosphere; Heating;

With n-butyllithium; In hexane; Inert atmosphere;

DOI:10.1021/om100420z

Reference yield: 32.0%

2-<2-(1-methoxynaphthyl)>-4,4-dimethyl-Δ2-oxazoline (78265-10-8) + 2-(2-lithiophenyl)-4,4-dimethyl-Δ2-oxazoline (66464-21-9) → C26H26N2O2 (85678-99-5)

Guidance literature:

In tetrahydrofuran; diethyl ether; at -15 - 0 ℃; for 1.5h;

DOI:10.1055/s-1983-30235

upstream raw materials:

4,5-dihydro-4,4-dimethyl-2-phenoxazole

2-Amino-2-methyl-1-propanol

benzonitrile

Downstream raw materials:

2,2'-bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)biphenyl

C₂₆H₂₆N₂O₂

2-[2-(Cyclopent-1-enyl-methoxy-methyl)-phenyl]-4,4-dimethyl-4,5-dihydro-oxazole

2-(4',4'-dimethyloxazolin-2'-yl)thiophenolato lithium