2,3,3-Trimethyl-1-phenylbutan-1-one

Base Information

• Chemical Name: 2,3,3-Trimethyl-1-phenylbutan-1-one
• CAS No.: 57847-43-5
• Molecular Formula: C13H18O
• Molecular Weight: 190.285
• DSSTox Substance ID: DTXSID60501063
• Nikkaji Number: J2.349.590B
• Mol file: 57847-43-5.mol

Synonyms:2,3,3-trimethyl-1-phenylbutan-1-one;2,3,3-trimethyl-1-phenyl-1-butanone;57847-43-5;SCHEMBL15658023;DTXSID60501063

Chemical Property of 2,3,3-Trimethyl-1-phenylbutan-1-one

Chemical Property:

• PSA: 17.07000
• LogP: 3.55150
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 190.135765193
• Heavy Atom Count: 14
• Complexity: 194

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,3,3-Trimethyl-1-phenylbutan-1-one

There total 10 articles about 2,3,3-Trimethyl-1-phenylbutan-1-one 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: 32.0%

(1-tert-butoxypropenyl)-benzene (109585-91-3,109585-92-4) → (+/-)-2,3,3-trimethyl-1-phenylbutan-1-one (57847-43-5) + 1-phenyl-propan-1-one (93-55-0)

Guidance literature:

boron trifluoride diethyl etherate; In dichloromethane; at -78 ℃; for 2h;

DOI:10.1002/adsc.200303059

Reference yield:

tert-butylmercury chloride (38442-51-2) + α-methylacetophenone anion (88377-60-0) → (+/-)-2,3,3-trimethyl-1-phenylbutan-1-one (57847-43-5)

Guidance literature:

With 18-crown-6 ether; In dimethyl sulfoxide; at 35 ℃; Irradiation;

DOI:10.1021/ja00291a079

Reference yield:

Dimethyl-((E)-2,3,3-trimethyl-1-phenyl-but-1-enyl)-amine (85429-46-5) → (+/-)-2,3,3-trimethyl-1-phenylbutan-1-one (57847-43-5)

Guidance literature:

With hydrogenchloride; at 40 ℃; for 4h; Yield given;

upstream raw materials:

tert-butylmercury chloride

α-methylacetophenone anion

pivalaldehyde N-tosylhydrazone

methyllithium

Downstream raw materials:

β-1-phenyl-2,3,3-trimethylbutan-1-ol