1,1,3,3-Cyclohexanetetrapropionitrile, 2-oxo-

Base Information

• Chemical Name: 1,1,3,3-Cyclohexanetetrapropionitrile, 2-oxo-
• CAS No.: 5883-05-6
• Molecular Formula: C18H22N4O
• Molecular Weight: 310.399
• European Community (EC) Number: 227-559-5
• NSC Number: 405528,6942
• DSSTox Substance ID: DTXSID60207558
• Nikkaji Number: J48.550K
• Wikidata: Q83081465
• Mol file: 5883-05-6.mol

Synonyms:NSC 6942;5883-05-6;1,1,3,3-Cyclohexanetetrapropionitrile, 2-oxo-;EINECS 227-559-5;NSC 405528;BRN 3063826;2-Oxo-1,1,3,3-cyclohexanetetrapropionitrile;2-Oxo-cyclohexane-1,1,3,3-tetrapropionitrile;3,3',3'',3'''-(2-oxocyclohexane-1,1,3,3-tetrayl)tetrapropanenitrile;2-Oxo-1,3,3-cyclohexanetetrapropionitrile;WLN: L6VTJ B2CN B2CN F2CN F2CN;1,3,3-Cyclohexanetetrapropionitrile, 2-oxo-;ChemDiv2_000173;SCHEMBL3988074;DTXSID60207558;NSC6942;HMS1369H19;NSC-6942;NSC405528;STK806504;AKOS001593262;NSC-405528;LS-57009;2-Oxo-1,1,3,3-cyclohexanetetrapropiononitrile;4-10-00-03571 (Beilstein Handbook Reference);SR-01000398738;SR-01000398738-1

Chemical Property of 1,1,3,3-Cyclohexanetetrapropionitrile, 2-oxo-

Chemical Property:

• Vapor Pressure: 1.3E-14mmHg at 25°C
• Boiling Point: 605.5°Cat760mmHg
• Flash Point: 320°C
• Density: 1.071g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 310.17936134
• Heavy Atom Count: 23
• Complexity: 533

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C(=O)C(C1)(CCC#N)CCC#N)(CCC#N)CCC#N

Technology Process of 1,1,3,3-Cyclohexanetetrapropionitrile, 2-oxo-

There total 7 articles about 1,1,3,3-Cyclohexanetetrapropionitrile, 2-oxo- 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: 81.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + acrylonitrile (107-13-1,25014-41-9) → 2,2,6,6-tetrakis(2-cyanoethyl)cyclohexanone (5883-05-6)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In water; tert-butyl alcohol; at 20 ℃; for 2h;

DOI:10.1007/BF02320330

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + acrylonitrile (107-13-1,25014-41-9) → 3,3'-(2-oxo-cyclohexylidene)-di-propionitrile (91556-87-5) + cyclohexanone-2-propionitrile (4594-78-9) + 2,2,6,6-tetrakis(2-cyanoethyl)cyclohexanone (5883-05-6)

Guidance literature:

Verb_. 1: 1 Mol;

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 2,2,6,6-tetrakis(2-cyanoethyl)cyclohexanone (5883-05-6)

Guidance literature:

With sodium amide; anschliessendes Behandeln mit 3-Chlor-propionitril;

DOI:10.1021/ja01164a104

upstream raw materials:

cyclohexanone

acrylonitrile

3-Hydroxypropionitrile

water

Downstream raw materials:

2,2,6,6-tetrakis[2-(5-tetrazolyl)ethyl]cyclohexanone

3,3',3'',3'''-(2-oxo-cyclohexane-1,1,3,3-tetrayl)-tetra-propionic acid