4-Octanone, 1-phenyl-

Base Information

• Chemical Name: 4-Octanone, 1-phenyl-
• CAS No.: 78427-96-0
• Molecular Formula: C14H20O
• Molecular Weight: 204.312
• DSSTox Substance ID: DTXSID90454659
• Nikkaji Number: J1.230.280K
• Wikidata: Q82276316
• Mol file: 78427-96-0.mol

Synonyms:4-Octanone, 1-phenyl-;78427-96-0;1-Phenyl-4-octanone;SCHEMBL14672760;DTXSID90454659;AKOS017958246

Chemical Property of 4-Octanone, 1-phenyl-

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 204.151415257
• Heavy Atom Count: 15
• Complexity: 168

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(=O)CCCC1=CC=CC=C1

Technology Process of 4-Octanone, 1-phenyl-

There total 19 articles about 4-Octanone, 1-phenyl- 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: 83.7%

1-phenyloctan-4-ol (194732-59-7) → 1-phenyloctan-4-one (78427-96-0)

Guidance literature:

With sodium dichromate; sulfuric acid; In diethyl ether; Ambient temperature;

DOI:10.1016/S0040-4020(97)00332-3

Reference yield: 81.0%

1-iodo-butane (542-69-8) + 4-Phenyl-butyric acid 6-(2-methylsulfanyl-ethyl)-pyridin-2-yl ester (78428-01-0) → 1-phenyloctan-4-one (78427-96-0)

Guidance literature:

With nickel dichloride; zinc; In N,N-dimethyl-formamide; at 50 ℃; for 5h;

DOI:10.1246/cl.1981.531

Reference yield: 75.0%

1-iodo-butane (542-69-8) + 4-Phenyl-butyric acid 6-phenethyl-pyridin-2-yl ester (78427-98-2) → 1-phenyloctan-4-one (78427-96-0)

Guidance literature:

With nickel dichloride; zinc; In N,N-dimethyl-formamide; at 50 ℃; for 5h;

DOI:10.1246/cl.1981.531

upstream raw materials:

1-iodo-butane

2-pyridyl 4-phenylbutanoate

4-Phenyl-butyric acid 6-methyl-pyridin-2-yl ester

2-(6-(2-methoxyethyl)pyridyl) 4-phenylbutanoate

Downstream raw materials:

3-methyl-1-(3-phenylpropyl)cyclopentene

1-butyl-3-phenylcyclopentene

oct-3-yn-1-ylbenzene

Refernces

• 1、 Takeda, Takeshi,Taguchi, Haruhiko,Fujiwara, Tooru. "Titanocene(II)-promoted desulfurizative acylation of thioacetals with alkanenitriles". . p. 65 - 68. Retrieved 2007/10/03.
• 2、 Onaka, Makoto,Matsuoka, Yoshio,Mukaiyama, Teruaki. "A CONVENIENT METHOD FOR THE DIRECT PREPARATION OF KETONES FROM 2-(6-(2-METHOXYETHYL)PYRIDYL) CARBOXYLATES AND ALKYL IODIDES BY USE OF ZINC DUST AND A CATALYTIC AMOUNT OF NICKEL DICHLORIDE". . p. 531 - 534. Retrieved 2007/10/02.