2-Butanone, 3,3-dimethyl-1,1-diphenyl-

Base Information

• Chemical Name: 2-Butanone, 3,3-dimethyl-1,1-diphenyl-
• CAS No.: 58343-20-7
• Molecular Formula: C18H20O
• Molecular Weight: 252.356
• European Community (EC) Number: 665-034-6
• DSSTox Substance ID: DTXSID60409055

Synonyms:3,3-dimethyl-1,1-diphenylbutan-2-one;58343-20-7;3,3-dimethyl-1,1-diphenyl-2-butanone;SCHEMBL409758;DTXSID60409055;AKOS011682667

Chemical Property of 2-Butanone, 3,3-dimethyl-1,1-diphenyl-

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 252.151415257
• Heavy Atom Count: 19
• Complexity: 269

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2

Technology Process of 2-Butanone, 3,3-dimethyl-1,1-diphenyl-

There total 16 articles about 2-Butanone, 3,3-dimethyl-1,1-diphenyl- 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: 70.0%

3,3-dimethyl-butan-2-one (75-97-8) + chlorobenzene (108-90-7) → 1,1-diphenyl-3,3-dimethyl-2-butanone (58343-20-7)

Guidance literature:

With trans-[1,3-bis(2,6-diisopropylphenyl)imidazolin-2-ylidene]PdCl₂(NC₅H₅); sodium t-butanolate; In tetrahydrofuran; at 100 ℃; for 8h; Inert atmosphere;

DOI:10.1002/ejoc.201001428

Reference yield:

3,3-dimethyl-butan-2-one (75-97-8) + bromobenzene (108-86-1,52753-63-6) → tert-butyl benzyl ketone (6721-67-1) + 1,1-diphenyl-3,3-dimethyl-2-butanone (58343-20-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; at 30 - 35 ℃; for 1.3h; Product distribution; Irradiation; other solvents, time, temperature;

DOI:10.1021/ja00546a021

Reference yield:

bromobenzene (108-86-1,52753-63-6) + 3,3-dimethyl-2-butanone lithium enolate (134361-00-5) → tert-butyl benzyl ketone (6721-67-1) + 1,1-diphenyl-3,3-dimethyl-2-butanone (58343-20-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

In dimethyl sulfoxide; at 35 ℃; for 1.3h; Product distribution; Irradiation; other solvent, time, temperature;

DOI:10.1021/ja00546a021

upstream raw materials:

3,3-dimethyl-butan-2-one

bromobenzene

iodobenzene

3,3-dimethyl-2-butanone lithium enolate

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