4'-Methoxyhexanophenone

Base Information

• Chemical Name: 4'-Methoxyhexanophenone
• CAS No.: 6397-82-6
• Molecular Formula: C13H18O2
• Molecular Weight: 206.285
• Hs Code.: 2914509090
• European Community (EC) Number: 229-010-5
• DSSTox Substance ID: DTXSID60981386
• Nikkaji Number: J207.006E
• Wikidata: Q82967670
• Mol file: 6397-82-6.mol

Synonyms:4'-Methoxyhexanophenone;1-(4-methoxyphenyl)hexan-1-one;6397-82-6;1-(4-methoxy-phenyl)-hexan-1-one;EINECS 229-010-5;1-Hexanone, 1-(4-methoxyphenyl)-;1-(4-Methoxyphenyl)-1-hexanone;1-Methoxy-4-hexanoylbenzene;SCHEMBL1304627;DTXSID60981386;1-(4-Methoxyphenyl)-1-hexanone #;AKOS009347320

Chemical Property of 4'-Methoxyhexanophenone

Chemical Property:

• PSA: 26.30000
• LogP: 3.45820
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 181

Purity/Quality:

99%, ^*data from raw suppliers

1-(4-Methoxy-phenyl)-hexan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4'-Methoxyhexanophenone

There total 60 articles about 4'-Methoxyhexanophenone 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: 97.0%

2-(4-methoxy-phenyl)-2-pentyl-[1,3]dithiane (769936-21-2) → 4'-methoxyhexanophenone (6397-82-6)

Guidance literature:

With sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene; In methanol; at 20 ℃; for 4.5h;

DOI:10.1055/s-2004-829558

Reference yield: 97.0%

1-(p-methoxyphenyl)-t-2-methylcyclopentan-r-1-ol (101934-23-0) → 4'-methoxyhexanophenone (6397-82-6)

Guidance literature:

With 2,3,5-trimethyl-pyridine; [Ir(2-(2,4-difluorophenyl)-5-(trifluoromethyl)pyridine)₂(5,5'-bis(trifluoromethyl)-2,2'-bipyridyl)](PF₆); thiophenol; In dichloromethane; at 20 ℃; Sealed tube; Inert atmosphere; Irradiation;

DOI:10.1021/jacs.6b06517

Reference yield: 93.0%

methoxybenzene (100-66-3) + hexanoic acid (142-62-1) → 4'-methoxyhexanophenone (6397-82-6)

Guidance literature:

With hydrothermally synthesized Nb₂O₅-WOx nanofiber crystal calcined in N₂; at 139.84 ℃; for 3h; Inert atmosphere;

DOI:10.1039/c0jm02882g

upstream raw materials:

Hexanoyl chloride

methoxybenzene

n-hexanoic anhydride

hexanoic acid

Downstream raw materials:

1-hexyl-4-methoxybenzene

4-<1-Pentylhepten-(1)-yl>-anisol

4-(1-Pentylhex-1-enyl)-anisol

(Z)-3-(4-methoxyphenyl)-2-octenal

Refernces

• 1、 Liu, Wei,Wu, Qiang,Wang, Miao,Huang, Yahao,Hu, Peng. "Iron-Catalyzed C-C Single-Bond Cleavage of Alcohols". supporting information. p. 8413 - 8418. Retrieved 2021/11/01.
• 2、 Livingstone, Keith,Bertrand, Sophie,Kennedy, Alan R.,Jamieson, Craig. "Transition-Metal-Free Coupling of 1,3-Dipoles and Boronic Acids as a Sustainable Approach to C?C Bond Formation". . p. 10591 - 10597. Retrieved 2020/07/25.