Octanophenone

Base Information

• Chemical Name: Octanophenone
• CAS No.: 1674-37-9
• Molecular Formula: C14H20 O
• Molecular Weight: 204.312
• Hs Code.: 29143900
• European Community (EC) Number: 216-817-2
• NSC Number: 22009
• UNII: KQY234FG9L
• DSSTox Substance ID: DTXSID5061871
• Nikkaji Number: J151.170J
• Wikidata: Q81989720
• Mol file: 1674-37-9.mol

Synonyms:Octanophenone;1674-37-9;1-Phenyloctan-1-one;Heptyl phenyl ketone;1-Octanone, 1-phenyl-;Caprylophenone;n-Octanophenone;Ketone, heptyl phenyl;1-phenyl-octan-1-one;KQY234FG9L;EINECS 216-817-2;NSC 22009;NSC-22009;1-Phenyl-1-octanone;MFCD00003554;Octanophenone, >=99%;1-Phenyl-1-octanone #;UNII-KQY234FG9L;SCHEMBL965245;AMY762;DTXSID5061871;NSC22009;AKOS009031151;AS-57602;FT-0633756;O0149;EN300-21121;F14864;J-010365

Chemical Property of Octanophenone

Chemical Property:

• Appearance/Colour: clear colourless to slightly yellow liquid
• Vapor Pressure: 0.00247mmHg at 25°C
• Melting Point: 21.5-23.5 °C(lit.)
• Refractive Index: n20/D 1.5044(lit.)
• Boiling Point: 285-290 °C(lit.)
• Flash Point: 116.7°C
• PSA: 17.07000
• Density: 0.928g/cm³
• LogP: 4.22980
• Storage Temp.: 2-8°C
• Water Solubility.: Soluble in hot ethanol, acetone, toluene and other common organic solvents. Insoluble in water.
• XLogP3: 4.6
• 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:

98%,99%, ^*data from raw suppliers

Octanophenone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCC(=O)C1=CC=CC=C1
• Uses: Octanophenone is used as a pharmaceutical intermediate.

Technology Process of Octanophenone

There total 72 articles about Octanophenone 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%

sodium tetraphenyl borate (143-66-8) + n-octanoic acid chloride (111-64-8) → n-octanophenone (1674-37-9)

Guidance literature:

With palladium diacetate; sodium carbonate; In acetone; at 20 ℃; for 0.0833333h;

DOI:10.1016/S0040-4039(99)00364-0

Reference yield: 96.0%

caprylnitrile (124-12-9) + phenylboronic acid (98-80-6) → n-octanophenone (1674-37-9)

Guidance literature:

With [2,2]bipyridinyl; palladium diacetate; trifluoroacetic acid; In tetrahydrofuran; water; at 80 ℃; for 36h; Schlenk technique; Inert atmosphere;

DOI:10.1055/s-0033-1338909

Reference yield: 95.0%

acetophenone (98-86-2) + hexan-1-ol (111-27-3) → n-octanophenone (1674-37-9)

Guidance literature:

With Mg-Al hydrotalcite supported copper; at 180 ℃; for 15h; chemoselective reaction;

DOI:10.1016/j.catcom.2012.12.027

upstream raw materials:

benzoic acid methyl ester

1-Heptyne

1-hexene

(2-oxo-2-phenylethyl)mercury chloride

Downstream raw materials:

Octylbenzene

phenyl n-heptyl ketone oxime

1-(3-nitro-phenyl)-octan-1-one

3-hydroxy-3-phenyl-decanoic acid

Refernces

• 1、 Shaabani, Ahmad,Tabatabaei, Azadeh Tavousi,Hajishaabanha, Fatemeh,Shaabani, Shabnam,Seyyedhamzeh, Mozhdeh,Keramati nejad, Mina. "KMnO4/guanidinium-based sulfonic acid: as an efficient Br?nsted acid organocatalyst for the selective oxidation of organic compounds". . p. 367 - 379. Retrieved 2018.
• 2、 Shaabani, Ahmad,Afaridoun, Hadi,Shaabani, Shabnam,Keramati Nejad, Mina. "Natural hydroxyapatite supported cobalt tetrasulfophthalocyanine: A green, renewable and biomaterial-based heterogeneous catalyst for selective aerobic oxidation of alkyl arenes and alcohols". . p. 97367 - 97375. Retrieved 2016.
• 3、 Shaabani, Ahmad,Afaridoun, Hadi,Shaabani, Shabnam. "Natural hydroxyapatite-supported MnO2: a green heterogeneous catalyst for selective aerobic oxidation of alkylarenes and alcohols". . p. 772 - 776. Retrieved 2016.
• 4、 Guo, Lin,Xia, Raymond Yang,Xia, Wujiong,Yang, Chao,Zhang, Haoxiang,Zhou, Xiao. "Nickel-Catalyzed Reductive Acylation of Carboxylic Acids with Alkyl Halides and N-Hydroxyphthalimide Esters Enabled by Electrochemical Process". supporting information. . Retrieved 2022/03/31.
• 5、 García Manche?o, Olga,Kuhlmann, Jan H.,Pérez-Aguilar, María Carmen,Piekarski, Dariusz G.,Uygur, Mustafa. "Metal- And additive-free C-H oxygenation of alkylarenes by visible-light photoredox catalysis". supporting information. p. 3392 - 3399. Retrieved 2021/05/21.