Propanedinitrile, [methoxy(4-methoxyphenyl)methylene]-

Base Information

• Chemical Name: Propanedinitrile, [methoxy(4-methoxyphenyl)methylene]-
• CAS No.: 5515-13-9
• Molecular Formula: C₁₂H₁₀N₂O₂
• Molecular Weight: 214.224
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID00484947
• Mol file: 5515-13-9.mol

Synonyms:5515-13-9;Propanedinitrile, [methoxy(4-methoxyphenyl)methylene]-;METHOXY(4-METHOXYPHENYL)METHYLENE]PROPANEDINITRILE;DTXSID00484947

Chemical Property of Propanedinitrile, [methoxy(4-methoxyphenyl)methylene]-

Chemical Property:

• PSA: 66.04000
• LogP: 2.09986
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 214.074227566
• Heavy Atom Count: 16
• Complexity: 343

Purity/Quality:

95% ^*data from raw suppliers

METHOXY(4-METHOXYPHENYL)METHYLENE]PROPANEDINITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Propanedinitrile, [methoxy(4-methoxyphenyl)methylene]-

There total 5 articles about Propanedinitrile, [methoxy(4-methoxyphenyl)methylene]- 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:

α-cyano-β-hydroxy-p-methoxycinnamonitrile (5515-10-6) + dimethyl sulfate (77-78-1) → 2-Cyan-3-methoxy-3-<4-methoxy-phenyl>-acrylonitril (5515-13-9)

Guidance literature:

Reference yield:

<4-Methoxy-benzoyl>malonsaeure-dinitril (46407-88-9) + dimethyl sulfate (77-78-1) → 2-Cyan-3-methoxy-3-<4-methoxy-phenyl>-acrylonitril (5515-13-9)

Guidance literature:

With sodium hydrogencarbonate; In 1,4-dioxane;

DOI:10.1002/jhet.5570120621

Reference yield:

4-methoxy-benzoyl chloride (100-07-2) → 2-Cyan-3-methoxy-3-<4-methoxy-phenyl>-acrylonitril (5515-13-9)

Guidance literature:

Multi-step reaction with 2 steps

1: NaH / tetrahydrofuran / 1.) 5-10 deg C, 2.) room temp., 1h

2: tetrahydrofuran / 2.5 h / Heating

With sodium hydride; In tetrahydrofuran;

DOI:10.1039/P19960001545

upstream raw materials:

<4-Methoxy-benzoyl>malonsaeure-dinitril

dimethyl sulfate

α-cyano-β-hydroxy-p-methoxycinnamonitrile

4-methoxy-benzoyl chloride

Downstream raw materials:

5-amino-3-(4-methoxy-phenyl)-1H-pyrazole-4-carbonitrile

C₂₁H₃₀N₄O

C₂₁H₃₂N₄O₂

5-amino-1-tert-butyl-4-cyano-3-(p-methoxyphenyl)pyrazole