2-(3-Methoxybenzylidene)malononitrile

Base Information

• Chemical Name: 2-(3-Methoxybenzylidene)malononitrile
• CAS No.: 2972-72-7
• Molecular Formula: C11H8 N2 O
• Molecular Weight: 184.197
• NSC Number: 637329,94276
• DSSTox Substance ID: DTXSID80294107
• Nikkaji Number: J581.423E
• Mol file: 2972-72-7.mol

Synonyms:2-(3-Methoxybenzylidene)malononitrile;2972-72-7;2-[(3-methoxyphenyl)methylidene]propanedinitrile;NSC637329;(3-methoxybenzylidene)malononitrile;Propanedinitrile,2-[(3-methoxyphenyl)methylene]-;NSC94276;Propanedinitrile, [(3-methoxyphenyl)methylene]-;NCIOpen2_001352;SCHEMBL2180188;3-Methoxybenzylidenemalononitrile;DTXSID80294107;CAA97272;MCK103092;NSC 94276;NSC-94276;(3-Methoxybenzylidene)propanedinitrile;AKOS002952352;NSC-637329;2-(3-Methoxybenzylidene)malononitrile #;Benzene, 1-methoxy-3-(2,2-dicyanoethenyl)-;2-[(3-methoxyphenyl)methylene]propanedinitrile

Chemical Property of 2-(3-Methoxybenzylidene)malononitrile

Chemical Property:

• Vapor Pressure: 8.64E-05mmHg at 25°C
• Boiling Point: 340.4°Cat760mmHg
• Flash Point: 142.8°C
• Density: 1.169g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 184.063662883
• Heavy Atom Count: 14
• Complexity: 297

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C=C(C#N)C#N

Technology Process of 2-(3-Methoxybenzylidene)malononitrile

There total 6 articles about 2-(3-Methoxybenzylidene)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: 99.0%

3-methoxy-benzaldehyde (591-31-1) + malononitrile (109-77-3) → 2-(3-methoxybenzylidene)malononitrile (2972-72-7)

Guidance literature:

With Au(at)Cu(II)-metal-organic framework; In methanol; toluene; at 20 ℃; for 7h;

DOI:10.1021/acs.inorgchem.6b00925

Reference yield: 85.0%

ethenetetracarbonitrile (670-54-2) + 3-methoxy-benzaldehyde (591-31-1) → 2-(3-methoxybenzylidene)malononitrile (2972-72-7)

Guidance literature:

With cycl-isopropylidene malonate; water; at 80 ℃; for 1.5h;

DOI:10.1248/cpb.56.1480

Reference yield:

2-[Butylsulfanyl-(3-methoxy-phenyl)-methyl]-malononitrile → n-butanethiol (109-79-5) + 2-(3-methoxybenzylidene)malononitrile (2972-72-7)

Guidance literature:

at 25 ℃; Equilibrium constant;

DOI:10.1139/v68-128

upstream raw materials:

3-methoxy-benzaldehyde

malononitrile

ethenetetracarbonitrile

3-methoxybenzyl alcohol

Downstream raw materials:

2-amino-4-(3-methoxyphenyl)-6-mercaptopyridine-3,5-dicarbonitrile

3-amino-1-(3-methoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile

(2Z)-ethyl 2-(2-(benzylimino)-3,3-dicyano-4-(3-methoxyphenyl)cyclopentylidene)acetate

(E)-2-cyano-3-(3-methoxyphenyl)acrylamide

Refernces

• 1、 Gupta, Vijay,Mandal, Sanjay K.. "Coordination driven self-assembly of [2 + 2 + 2] molecular squares: Synthesis, crystal structures, catalytic and luminescence properties". . p. 9742 - 9754. Retrieved 2018.
• 2、 Hassan, Ashraf S.,Morsy, Nesrin M.,Awad, Hassan M.,Ragab, Ahmed. "Synthesis, molecular docking, and in silico ADME prediction of some fused pyrazolo[1,5-a]pyrimidine and pyrazole derivatives as potential antimicrobial agents". . p. 521 - 545. Retrieved 2021/07/06.
• 3、 Gupta, Padmini,Kumar, Lalita S.,Kumar, Yogesh,Shabir, Javaid. "Design and Development of Amine Functionalized Mesoporous Cubic Silica Particles: A Recyclable Catalyst for Knoevenagel Condensation". . . Retrieved 2021/07/28.