delta(sup 1),alpha-Acenaphthenemalononitrile, 2-oxo-

Base Information

• Chemical Name: delta(sup 1),alpha-Acenaphthenemalononitrile, 2-oxo-
• CAS No.: 14619-86-4
• Molecular Formula: C15H6 N2 O
• Molecular Weight: 230.225
• Hs Code.: 2926909090
• NSC Number: 92322
• UNII: E1D0M0NA1C
• DSSTox Substance ID: DTXSID90163294
• Nikkaji Number: J54.034J
• Wikidata: Q83032183
• ChEMBL ID: CHEMBL2314369
• Mol file: 14619-86-4.mol

Synonyms:14619-86-4;delta(sup 1),alpha-Acenaphthenemalononitrile, 2-oxo-;Propanedinitrile, (2-oxo-1(2H)-acenaphthylenylidene)-;NSC 92322;BRN 2973830;E1D0M0NA1C;CHEMBL2314369;2-(2-oxoacenaphthylen-1-ylidene)propanedinitrile;2-Oxo-delta(sup1),alpha-acenaphthenemalononitrile;2-Oxo-delta(sup 1),alpha-acenaphthenemalononitrile;NSC-92322;1-(Dicyanomethylene)acenaphthen-2-one;NSC92322;delta(Sup1), 2-oxo-;UNII-E1D0M0NA1C;NCIOpen2_005967;.delta.(sup1), 2-oxo-;C15H6N2O;SCHEMBL2367407;1-Dicyanmethylen-2-acenaphthenon;DTXSID90163294;C15-H6-N2-O;BDBM50425963;1-dicyanomethylene-2-oxo-acenaphthene;2-(Dicyanomethylene)acenaphthene-1-one;LS-7857;2-Oxo-.delta.(sup1),.alpha.-acenaphthenemalononitrile;2-(2-OXO-2H-ACENAPHTHYLEN-1-YLIDENE)-MALONONITRILE;2-(2-OXO-1(2H)-ACENAPHTHYLENYLIDENE)PROPANEDINITRILE;PROPANEDINITRILE, 2-(2-OXO-1(2H)-ACENAPHTHYLENYLIDENE)-

Chemical Property of delta(sup 1),alpha-Acenaphthenemalononitrile, 2-oxo-

Chemical Property:

• Vapor Pressure: 2.21E-07mmHg at 25°C
• Melting Point: 240 °C
• Boiling Point: 423.6°C at 760 mmHg
• Flash Point: 210°C
• PSA: 64.65000
• Density: 1.438g/cm³
• LogP: 1.70776
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 230.048012819
• Heavy Atom Count: 18
• Complexity: 509

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C(=C(C#N)C#N)C(=O)C3=CC=C2

Technology Process of delta(sup 1),alpha-Acenaphthenemalononitrile, 2-oxo-

There total 1 articles about delta(sup 1),alpha-Acenaphthenemalononitrile, 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: 99.0%

malononitrile (109-77-3) + acenaphthene quinone (82-86-0) → 2-(2-oxo-2H-acenaphthylen-1-ylidene)malononitrile (14619-86-4)

Guidance literature:

In water; at 20 ℃; for 0.166667h; Green chemistry;

DOI:10.1016/j.molstruc.2020.129451

Reference yield: 92.0%

2-(2-oxo-2H-acenaphthylen-1-ylidene)malononitrile (14619-86-4) + ethyl acetoacetate (141-97-9) + 4-chloro-aniline (106-47-8) → ethyl (6bR,9aR)-11-amino-7-(4-chlorophenyl)-10-cyano-8-methyl-7H-6b,9a-(epoxyetheno)acenaphtho[1,2-b]pyrrole-9-carboxylate

Guidance literature:

With BuSO₃H functionalized silica-coated Fe₃O₄ nanocatalyst; In neat (no solvent); at 60 ℃; for 0.666667h; Solvent; Reagent/catalyst; Temperature;

DOI:10.1016/j.poly.2019.114343

Reference yield: 89.0%

2-(2-oxo-2H-acenaphthylen-1-ylidene)malononitrile (14619-86-4) + p-tolueneacetonitrile (7391-28-8) → C25H15N3O2

Guidance literature:

With triethylamine; In methanol; water; at 20 ℃; regioselective reaction;

DOI:10.1055/s-0036-1588822

upstream raw materials:

malononitrile

acenaphthene quinone

Downstream raw materials:

[Dicyano-(2-oxo-acenaphthen-1-yl)-methyl]-phosphonic acid dimethyl ester

(Z)-2-(2-amino-5-methylphenylamino)-2-(2-oxoacenaphthylen-1(2H)-ylidene)acetonitrile

9-methyl-acenaphtho[1,2-b]quinoxaline

acenaphtho[1,2-b]quinoxaline