(9-Anthrylmethylene)malononitrile

Base Information

• Chemical Name: (9-Anthrylmethylene)malononitrile
• CAS No.: 55490-87-4
• Molecular Formula: C18H10N2
• Molecular Weight: 254.28
• Hs Code.: 2926909090
• NSC Number: 153130
• UNII: G7I63555ZS
• DSSTox Substance ID: DTXSID70204073
• Nikkaji Number: J1.100.686H
• ChEMBL ID: CHEMBL1356663
• Mol file: 55490-87-4.mol

Synonyms:55490-87-4;(9-Anthrylmethylene)malononitrile;2-(Anthracen-9-ylmethylene)malononitrile;2-(anthracen-9-ylmethylidene)propanedinitrile;9-Anthrylidenemalononitrile;MALONONITRILE, (9-ANTHRYLMETHYLENE)-;NSC 153130;BRN 4747922;G7I63555ZS;2-(9-anthrylmethylene)malononitrile;NSC-153130;2-(9-Anthracenylmethylene)propanedinitrile;(anthracen-9-ylmethylidene)propanedinitrile;propanedinitrile, 2-(9-anthracenylmethylene)-;SR-03000000250-1;NSC153130;9-dicyanovinylanthracene;(9-anthrylmethylene)methane-1,1-dicarbonitrile;cid_41459;UNII-G7I63555ZS;9-Anthrylmethylenemalononitrile;SCHEMBL1566367;(9-Anthrylmethylene)malonoitrile;CHEMBL1356663;BDBM47019;DTXSID70204073;MCK103057;MFCD00176107;STK337405;AKOS003409308;DS-11547;LS-88848;Propanedinitrile, (9-anthracenylmethylene)-;2-(9-anthracenylmethylidene)propanedinitrile;CS-0155658;FT-0640315;C75601;A913311;2-[(ANTHRACEN-9-YL)METHYLIDENE]PROPANEDINITRILE

Chemical Property of (9-Anthrylmethylene)malononitrile

Chemical Property:

• Vapor Pressure: 6.69E-10mmHg at 25°C
• Refractive Index: 1.749
• Boiling Point: 494 °C at 760 mmHg
• Flash Point: 245 °C
• PSA: 47.58000
• Density: 1.26 g/cm³
• LogP: 4.42356
• Storage Temp.: 2-8°C
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 254.084398327
• Heavy Atom Count: 20
• Complexity: 446

Purity/Quality:

98%min ^*data from raw suppliers

(9-Anthrylmethylene)malononitrile 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=C(C#N)C#N

Technology Process of (9-Anthrylmethylene)malononitrile

There total 2 articles about (9-Anthrylmethylene)malononitrile 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: 98.0%

9-anthracene aldehyde (642-31-9) + malononitrile (109-77-3) → 2-((anthracen-9-yl)methylene)malononitrile (55490-87-4)

Guidance literature:

With C₈₈H₆₈Cl₄Hg₂N₄O₄P₄; In methanol; at 60 ℃; for 4h; Catalytic behavior;

DOI:10.1021/acs.cgd.9b00999

Reference yield:

9-anthracenecarboxaldehyde dimethyl acetal (98178-26-8) + malononitrile (109-77-3) → 2-((anthracen-9-yl)methylene)malononitrile (55490-87-4)

Guidance literature:

With {[(CH₃)₂NH₂]₂[BaZn(TDP)(H₂O)]·DMF·5H₂O}_n heated to 280 °C at a rate of 0.5 °C min^-1 in a N₂ stream for 15 min; In dimethyl sulfoxide; at 70 ℃; for 4h; Catalytic behavior;

DOI:10.1039/d1dt04231a

upstream raw materials:

9-anthracene aldehyde

malononitrile

9-anthracenecarboxaldehyde dimethyl acetal

Refernces

• 1、 Jiang, Lang,Fu, Yanyan,Li, Hongxiang,Hu, Wenping. "Single-crystalline, size, and orientation controllable nanowires and ultralong microwires of organic semiconductor with strong photoswitching property". . p. 3937 - 3941. Retrieved 2008.
• 2、 Lu, Bing-Bing,Ma, Jian-Fang,Pei, Wen-Yuan,Wang, Tianqi,Yang, Jin. "Two new calix[4]resorcinarene-based coordination cages adjusted by metal ions for the Knoevenagel condensation reaction". supporting information. p. 9942 - 9948. Retrieved 2021/07/28.