o-Methoxybutyrophenone

Base Information

• Chemical Name: o-Methoxybutyrophenone
• CAS No.: 13404-83-6
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• DSSTox Substance ID: DTXSID20493531
• Nikkaji Number: J2.158.258A
• Wikidata: Q82340277
• Mol file: 13404-83-6.mol

Synonyms:13404-83-6;2'-Methoxybutyrophenone;1-(2-Methoxyphenyl)butan-1-one;o-methoxybutyrophenone;1-Butanone, 1-(methoxyphenyl)-;SCHEMBL5307918;DTXSID20493531;1-(2-methoxy-phenyl)-butan-1-one;N13987

Chemical Property of o-Methoxybutyrophenone

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C1=CC=CC=C1OC

Technology Process of o-Methoxybutyrophenone

There total 12 articles about o-Methoxybutyrophenone 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: 100.0%

1-(2,3,4,5,6-pentamethylphenyl)butan-1-one (84858-88-8) → 1-(2-methoxyphenyl)butan-1-one (13404-83-6) + pentamethylbenzene, (700-12-9) + 1-(4-methoxyphenyl)-1-butanone (4160-51-4)

Guidance literature:

With methoxybenzene; trifluoroacetic acid; Heating;

DOI:10.1039/P29860000847

Reference yield: 100.0%

methoxybenzene (100-66-3) + 1-(2,3,4,5,6-pentamethylphenyl)butan-1-one (84858-88-8) → 1-(2-methoxyphenyl)butan-1-one (13404-83-6) + pentamethylbenzene, (700-12-9) + 1-(4-methoxyphenyl)-1-butanone (4160-51-4)

Guidance literature:

trifluoroacetic acid; for 5h; Heating;

DOI:10.1039/P29860000847

Reference yield: 81.0%

2-hydroxybutyrophenone (2887-61-8) + methyl iodide (74-88-4) → 1-(2-methoxyphenyl)butan-1-one (13404-83-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃;

upstream raw materials:

dipropylcadmium

2-Methoxybenzoyl chloride

2-hydroxybutyrophenone

dimethyl sulfate

Downstream raw materials:

2-<1-Propylpenten-(1)-yl>-anisol

5-[(E)-2-(2'-methoxyphenyl)pent-1-en-1-yl]furo[2,3-d]-pyrimidine-2,4-diamine

(S)-2-fluoro-1-(2-methoxyphenyl)-2-phenylbutan-1-one

2-bromo-2-fluoro-1-(2-methoxyphenyl)butan-1-one

Refernces

• 1、 Tan, Xuefeng,Wen, Jialin,Zeng, Weijun,Zhang, Xumu. "Iridium-Catalyzed Asymmetric Hydrogenation of α-Fluoro Ketones via a Dynamic Kinetic Resolution Strategy". supporting information. p. 7230 - 7233. Retrieved 2020/10/02.
• 2、 -. "PYRIDAZINONE COMPOUNDS AS CALCILYTICS". Page/Page column 27-28. . Retrieved 2010/11/27.