5-Tetradecanone

Base Information

• Chemical Name: 5-Tetradecanone
• CAS No.: 31857-89-3
• Molecular Formula: C14H28 O
• Molecular Weight: 212.376
• Hs Code.: 2914190090
• European Community (EC) Number: 250-847-7
• NSC Number: 158515
• UNII: E9RGX49ABP
• DSSTox Substance ID: DTXSID20185722
• Nikkaji Number: J278.201D
• Wikidata: Q83056801
• Mol file: 31857-89-3.mol

Synonyms:5-Tetradecanone;Tetradecan-5-one;31857-89-3;EINECS 250-847-7;NSC-158515;NSC158515;E9RGX49ABP;SCHEMBL5708548;DTXSID20185722;AKOS017341565;NSC 158515;FT-0726475

Chemical Property of 5-Tetradecanone

Chemical Property:

• Vapor Pressure: 0.00468mmHg at 25°C
• Melting Point: 38.18°C (estimate)
• Refractive Index: 1.4388 (estimate)
• Boiling Point: 276.8°Cat760mmHg
• Flash Point: 81.8°C
• PSA: 17.07000
• Density: 0.827g/cm³
• LogP: 4.88640
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 212.214015512
• Heavy Atom Count: 15
• Complexity: 140

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)CCCC

Technology Process of 5-Tetradecanone

There total 27 articles about 5-Tetradecanone 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: 89.0%

n-butyllithium (109-72-8,29786-93-4) + 1-(azetidin-1-yl)decan-1-one → tetradecan-5-one (31857-89-3)

Guidance literature:

In tetrahydrofuran; hexane; at 0 ℃; for 0.5h; chemoselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.6b00842

Reference yield: 86.0%

5-tetradecanol (21078-83-1) → tetradecan-5-one (31857-89-3)

Guidance literature:

With acrylic acid methyl ester; chlorocarbonylbis(triphenylphosphine)rhodium(I); In water; N,N-dimethyl-formamide; at 140 ℃; for 0.25h; under 10343 Torr; microwave irradiation;

DOI:10.1016/j.tetlet.2003.10.032

Reference yield: 84.0%

5-tetradecanone (53174-50-8) + butyl magnesium bromide (693-04-9) → tetradecan-5-one (31857-89-3)

Guidance literature:

dilithium tetrachlorocuprate; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; at 20 ℃;

DOI:10.1016/S0040-4020(00)00128-9

upstream raw materials:

1-iodo-butane

pentan-1-ol

1-Decanol

1-iodononane

Downstream raw materials:

5-tetradecanol

Refernces

• 1、 Brieger,Spencer. "". . p. 4585. Retrieved 1971.
• 2、 Zheng, Da-Ming,Wang, Rui-Qiang,Du, Yu,Hou, Guang-Feng,Wu, Li-Xin,Bi, Li-Hua. "A new organo-ruthenium substituted tungstotellurate: Synthesis, structural characterization and catalytic properties". . p. 8829 - 8836. Retrieved 2016/10/11.