2-[(2-Methoxyphenyl)methylidene]propanedinitrile

Base Information

• Chemical Name: 2-[(2-Methoxyphenyl)methylidene]propanedinitrile
• CAS No.: 2834-10-8
• Molecular Formula: C11H8 N2 O
• Molecular Weight: 184.197
• NSC Number: 637328
• DSSTox Substance ID: DTXSID60182578
• Nikkaji Number: J41.625H
• Mol file: 2834-10-8.mol

Synonyms:2834-10-8;2-[(2-methoxyphenyl)methylidene]propanedinitrile;2-(2-Methoxybenzylidene)malononitrile;2-Methoxybenzylidenemalononitrile;(2-methoxybenzylidene)propanedinitrile;NSC637328;MALONONITRILE, (o-METHOXYBENZYLIDENE)-;BRN 2092995;dicyanovinyl-anisole;Maybridge1_007164;SCHEMBL1532464;HMS561N14;DTXSID60182578;(2-methoxybenzylidene)malononitrile;MCK101092;MFCD00175265;STL139249;AKOS001586927;NSC-637328;2-(2-methoxy-benzylidene)-malononitrile;LS-88958;[(2-Methoxyphenyl)methylene]propanedinitrile;2-[(2-methoxyphenyl)methylene]propanedinitrile;2-10-00-00361 (Beilstein Handbook Reference);F0192-0853

Chemical Property of 2-[(2-Methoxyphenyl)methylidene]propanedinitrile

Chemical Property:

• Vapor Pressure: 0.000117mmHg at 25°C
• Boiling Point: 335.8°Cat760mmHg
• Flash Point: 140.5°C
• PSA: 56.81000
• Density: 1.169g/cm³
• LogP: 2.12576
• XLogP3: 1.8
• 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:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1C=C(C#N)C#N

Technology Process of 2-[(2-Methoxyphenyl)methylidene]propanedinitrile

There total 6 articles about 2-[(2-Methoxyphenyl)methylidene]propanedinitrile 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: 100.0%

ortho-anisaldehyde (135-02-4) + malononitrile (109-77-3) → 2-(2-methoxybenzylidene)malononitrile (2834-10-8)

Guidance literature:

hydrotalcite structure integrating fluoride ions; In DMF (N,N-dimethyl-formamide); at 25 ℃; for 0.25h; Conversion of starting material;

Reference yield: 79.0%

2-methoxybenzylamine (6850-57-3) + malononitrile (109-77-3) → 2-(2-methoxybenzylidene)malononitrile (2834-10-8)

Guidance literature:

With [bis(acetoxy)iodo]benzene; In acetonitrile; at 20 ℃; for 0.75h; Inert atmosphere;

DOI:10.1002/ejoc.201900970

Reference yield: 68.0%

malononitrile (109-77-3) + orthobenzoic acid trimethyl ester (707-07-3) → 2-(2-methoxybenzylidene)malononitrile (2834-10-8)

Guidance literature:

In acetic anhydride; for 4h; Heating / reflux;

upstream raw materials:

ortho-anisaldehyde

malononitrile

orthobenzoic acid trimethyl ester

(2-methoxyphenyl)methanol

Downstream raw materials:

2-Amino-6-imino-4-(2-methoxy-phenyl)-1,5-diphenyl-1,6-dihydro-pyridine-3-carbonitrile

5-amino-2,3-dihydro-7-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-3-oxo-7H-thiazolo[3,2-a]pyridine-6,8-dicarbonitrile

6?amino?4?(2?methoxyphenyl)?3?methyl?1,4?dihydropyrano[2,3?c]pyrazole?5?carbonitrile

2-[(2-Methoxy-phenyl)-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-methyl]-malononitrile