2-(4-Methoxyphenyl)-1-phenylbutan-1-one

Base Information

• Chemical Name: 2-(4-Methoxyphenyl)-1-phenylbutan-1-one
• CAS No.: 35258-39-0
• Molecular Formula: C17H18O2
• Molecular Weight: 254.329
• DSSTox Substance ID: DTXSID30509859
• Mol file: 35258-39-0.mol

Synonyms:35258-39-0;2-(4-methoxyphenyl)-1-phenylbutan-1-one;2-(p-Methoxyphenyl)butyrophenone;2-(4-METHOXYPHENYL)-1-PHENYL-1-BUTANONE;starbld0024498;DTXSID30509859;AKOS030240548;FT-0671331

Chemical Property of 2-(4-Methoxyphenyl)-1-phenylbutan-1-one

Chemical Property:

• PSA: 26.30000
• LogP: 4.07170
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 254.130679813
• Heavy Atom Count: 19
• Complexity: 273

Purity/Quality:

98%Min ^*data from raw suppliers

2-(p-Methoxyphenyl)butyrophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC=C(C=C1)OC)C(=O)C2=CC=CC=C2
• Uses: An intermediate for the synthesis of Tamoxifen

Technology Process of 2-(4-Methoxyphenyl)-1-phenylbutan-1-one

There total 12 articles about 2-(4-Methoxyphenyl)-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: 47.0%

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + 4-Methoxyphenylacetic acid (104-01-8) + ethyl iodide (75-03-6) → 2-(p-methoxyphenyl)-1-phenylbutan-1-one (35258-39-0)

Guidance literature:

4-Methoxyphenylacetic acid; With sodium hexamethyldisilazane; In tetrahydrofuran; at 23 ℃; for 2h; Inert atmosphere;

benzoic acid methyl ester; In tetrahydrofuran; at 23 ℃; for 2h; Inert atmosphere;

ethyl iodide; With ethanol; Inert atmosphere;

DOI:10.1021/jacs.7b05071

Reference yield:

n-butyllithium (109-72-8,29786-93-4) + 1-bromo-4-methoxy-benzene (104-92-7) + Heptanophenone (1671-75-6) + phenyl butyl ketone (1009-14-9) + N,N-dimethylbenzamide (611-74-5) → 2-(4-methoxyphenyl)-1-phenylpentan-1-one (1032818-99-7) + 2-(p-methoxyphenyl)-1-phenylbutan-1-one (35258-39-0) + C19H22O2 + propiophenone (495-40-9)

Guidance literature:

n-butyllithium; N,N-dimethylbenzamide; at 0 ℃; for 1h;

1-bromo-4-methoxy-benzene; Heptanophenone; phenyl butyl ketone; With bis(tri-t-butylphosphine)palladium⁽⁰⁾; In tetrahydrofuran; at 60 ℃;

DOI:10.1021/acscatal.6b00134

Reference yield:

4-methoxyphenyllead(IV) triacetate (18649-43-9) + trimethyl{(1-phenylbut-1-en-1-yl)oxy}silane (84839-88-3) → 2-(p-methoxyphenyl)-1-phenylbutan-1-one (35258-39-0) + methoxybenzene (100-66-3) + propiophenone (495-40-9) + bis-(p-methoxyphenyllead) diacetate

Guidance literature:

Multi-step reaction with 2 steps

1: BF₃-Et₂O / chloroform

2: chloroform-d1

With BF₃-Et₂O; In chloroform-d1; chloroform;

DOI:10.1039/P19930001677

upstream raw materials:

2-(4-methoxyphenyl)acetophenone

ethyl iodide

4-methoxyphenyllead(IV) triacetate

trimethyl{(1-phenylbut-1-en-1-yl)oxy}silane

Downstream raw materials:

2-(4-Hydroxy-phenyl)-1-phenyl-butan-1-one

1-[4-(2-Diethylamino-ethoxy)-phenyl]-2-(4-methoxy-phenyl)-1-phenyl-butan-1-ol

C₂₄H₂₄O₂

(Z)-1-(3-acetoxyphenyl)-1-phenyl-2-(4-acetoxyphenyl)-but-1-ene