Cycloundecanone

Base Information

• Chemical Name: Cycloundecanone
• CAS No.: 878-13-7
• Molecular Formula: C11H20 O
• Molecular Weight: 168.279
• Hs Code.: 2914299000
• European Community (EC) Number: 212-899-9
• NSC Number: 96907
• UNII: 8KH5U4Y92L
• DSSTox Substance ID: DTXSID00236645
• Nikkaji Number: J80.000G
• Wikidata: Q83118630
• Mol file: 878-13-7.mol

Synonyms:NSC 96907

Chemical Property of Cycloundecanone

Chemical Property:

• Vapor Pressure: 0.0151mmHg at 25°C
• Refractive Index: n20/D 1.481(lit.)
• Boiling Point: 106 °C4 mm Hg(lit.)
• Flash Point: 205 °F
• PSA: 17.07000
• Density: 0.898 g/mL at 25 °C(lit.)
• LogP: 3.47010
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 168.151415257
• Heavy Atom Count: 12
• Complexity: 115

Purity/Quality:

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

Cycloundecanone 97% ^*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: C1CCCCCC(=O)CCCC1

Technology Process of Cycloundecanone

There total 53 articles about Cycloundecanone 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: 92.0%

cycloundecanone-(2,4-dinitro-phenylhydrazone) (13659-82-0) → cycloundecanone (878-13-7) + benzene-1,2,4-triamine (615-71-4)

Guidance literature:

With vanadium(II) chloride; In tetrahydrofuran; for 1h; Heating;

DOI:10.1055/s-1981-29495

Reference yield: 90.0%

cycloundecanol (24469-57-6) → cycloundecanone (878-13-7)

Guidance literature:

With dimethyl sulfoxide; triethylamine; trichloromethyl chloroformate; In dichloromethane;

DOI:10.1016/S0040-4039(00)82412-0

Reference yield: 88.0%

5-iodocycloundecanone → cycloundecanone (878-13-7)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; for 0.5h; Irradiation;

upstream raw materials:

2-Hydroxy-1-cycloundecanon

diazomethane

cycloactanone

cyclononanone

Downstream raw materials:

1-methyl-cycloundecanol

undecanedioic acid

cycloundecanol

cycloundecanone oxime

Refernces

• 1、 Lu, Yun,Bradshaw, Joshua,Zhao, Yu,Kuester, William,Kabotso, Daniel. "Structure-reactivity relationship for alcohol oxidations via hydride transfer to a carbocationic oxidizing agent". . p. 1172 - 1178. Retrieved 2013/01/12.
• 2、 Rueedi, Georg,Oberli, Matthias A.,Nagel, Matthias,Hansen, Hans-Jurgen. "Diradical-promoted (n + 2 - 1) ring expansion: An efficient reaction for the synthesis of macrocyclic ketones". . p. 3179 - 3181. Retrieved 2007/10/03.