4-Dimethylamino-1-phenyl-1-butanone

Base Information

• Chemical Name: 4-Dimethylamino-1-phenyl-1-butanone
• CAS No.: 3760-63-2
• Molecular Formula: C12H17NO
• Molecular Weight: 191.273
• Hs Code.: 2922399090
• Mol file: 3760-63-2.mol

Synonyms:1-Dimethylamino-4-phenyl-butanon-(4);4-(Dimethylamino)-1-phenyl-1-butanone;4-Dimethylamino-1-phenyl-butan-1-on;1-Butanone,4-(dimethylamino)-1-phenyl;4-dimethylamino-1-phenyl-butan-1-one;1-Dimethylamino-4-oxo-4-phenyl-butan;N,N-dimethyl-4-oxo-4-phenyl-butanamine;Butyrophenone,4-(dimethylamino);

Chemical Property of 4-Dimethylamino-1-phenyl-1-butanone

Chemical Property:

• Boiling Point: 139-141 °C(Press: 5 Torr)
• PKA: 9.40±0.28(Predicted)
• PSA: 20.31000
• Density: 0.984±0.06 g/cm3(Predicted)
• LogP: 2.21110

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Dimethylamino-1-phenyl-1-butanone

There total 9 articles about 4-Dimethylamino-1-phenyl-1-butanone 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: 60.0%

4-phenyl-1-(N,N-dimethylamino)butane (1202-55-7) → 4-(dimethylamino)-1-phenylbutan-1-one (3760-63-2)

Guidance literature:

4-phenyl-1-(N,N-dimethylamino)butane; With trifluoroacetic acid; for 0.0833333h; Sealed tube;

With pyridine; 2-Picolinic acid; tert.-butylhydroperoxide; iron(III) chloride hexahydrate; In water; acetonitrile; at 20 ℃; for 48h; Reagent/catalyst; Solvent;

DOI:10.1021/acs.orglett.6b02003

Reference yield: 52.0%

dimethyl amine (124-40-3) + 4-chloro-1-phenylbutan-1-one (939-52-6) → 4-(dimethylamino)-1-phenylbutan-1-one (3760-63-2)

Guidance literature:

With sodium iodide; In benzene; for 48h; Reflux;

Reference yield:

C12H19N*C2HF3O2 → 4-(dimethylamino)-1-phenylbutan-1-one (3760-63-2)

Guidance literature:

With pyridine; 2-Picolinic acid; tert.-butylhydroperoxide; iron(III) chloride hexahydrate; In acetonitrile; at 20 ℃; for 9h;

DOI:10.1021/acs.orglett.6b02003

upstream raw materials:

benzonitrile

4-(dimethylamino)butyric acid hydrochloride

benzene

dimethyl amine

Downstream raw materials:

4-Dimethylamino-2-benzyl-1-phenylbutan-1-on

4-Dimethylamino-2-(4-methyl-benzyl)-1-phenyl-butan-1-one

N,N-dimethyl-2-(5-fluoro-2-phenylindol-3-yl)ethylamine

dimethyl-[2-(2-phenyl-indol-3-yl)-ethyl]-amine

Refernces

• 1、 Mbofana, Curren T.,Chong, Eugene,Lawniczak, James,Sanford, Melanie S.. "Iron-catalyzed oxyfunctionalization of aliphatic amines at remote benzylic C-H sites". supporting information. p. 4258 - 4261. Retrieved 2016/09/09.