2-(2-Ethoxybenzylidene)malononitrile

Base Information

• Chemical Name: 2-(2-Ethoxybenzylidene)malononitrile
• CAS No.: 2826-31-5
• Molecular Formula: C12H10 N2 O
• Molecular Weight: 198.224
• NSC Number: 176362
• DSSTox Substance ID: DTXSID60306434
• Nikkaji Number: J2.564.800E
• Mol file: 2826-31-5.mol

Synonyms:2-[(2-ethoxyphenyl)methylidene]propanedinitrile;2-(2-ethoxybenzylidene)malononitrile;2826-31-5;NSC 176362;Propanedinitrile, 2-[(2-ethoxyphenyl)methylene]-;(2-ethoxybenzylidene)propanedinitrile;NSC176362;2-Ethoxybenzylidenemalononitrile;SCHEMBL21457136;DTXSID60306434;HMS1580A05;MCK102240;MFCD00126184;STL139250;AKOS002952457;NSC-176362;CS-0336048;F6782-3622

Chemical Property of 2-(2-Ethoxybenzylidene)malononitrile

Chemical Property:

• Vapor Pressure: 5.15E-05mmHg at 25°C
• Boiling Point: 348.1°C at 760 mmHg
• Flash Point: 143.1°C
• Density: 1.139g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 198.079312947
• Heavy Atom Count: 15
• Complexity: 310

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC=C1C=C(C#N)C#N

Technology Process of 2-(2-Ethoxybenzylidene)malononitrile

There total 3 articles about 2-(2-Ethoxybenzylidene)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:

2-[Butylsulfanyl-(2-ethoxy-phenyl)-methyl]-malononitrile → n-butanethiol (109-79-5) + 2-<2-Aethoxy-benzyliden>-malonsaeure-dinitril (2826-31-5)

Guidance literature:

at 25 ℃; Equilibrium constant;

DOI:10.1139/v68-128

Reference yield:

2-ethoxylbenzaldehyde (613-69-4) + malononitrile (109-77-3) → 2-<2-Aethoxy-benzyliden>-malonsaeure-dinitril (2826-31-5)

Guidance literature:

In neat (no solvent); at 120 ℃; for 0.0833333h;

DOI:10.1039/C6NJ02313D

Reference yield:

→ 2-<2-Aethoxy-benzyliden>-malonsaeure-dinitril (2826-31-5)

Guidance literature:

Aus 2-Aethoxy-benzaldehyd in A. m. Malonsaeure-dinitril in Ggw. v. Piperidin;

DOI:10.1139/v67-166

upstream raw materials:

2-ethoxylbenzaldehyde

malononitrile