2-[Methoxy(naphthalen-1-yl)methylidene]propanedinitrile

Base Information

• Chemical Name: 2-[Methoxy(naphthalen-1-yl)methylidene]propanedinitrile
• CAS No.: 221242-71-3
• Molecular Formula: C15H10N2O
• Molecular Weight: 234.257
• Hs Code.: 2926907090
• European Community (EC) Number: 691-420-9
• DSSTox Substance ID: DTXSID30407765
• Mol file: 221242-71-3.mol

Synonyms:221242-71-3;2-[methoxy(naphthalen-1-yl)methylidene]propanedinitrile;2-(Methoxy(naphthalen-1-yl)Methylene)Malononitrile;2-[Methoxy(naphthalen-1-yl)methylidene]-propanedinitrile;1-NAPHTHYL(METHOXY)METHYLIDENEMALONITRILE;DTXSID30407765;MFCD04116187;AKOS015991315;CF-0079;CS-0323968;FT-0672648;Y13567;J-506450;[Methoxy(naphthalen-1-yl)methylidene]propanedinitrile

Chemical Property of 2-[Methoxy(naphthalen-1-yl)methylidene]propanedinitrile

Chemical Property:

• Vapor Pressure: 1.04E-08mmHg at 25°C
• Melting Point: 105°C
• Boiling Point: 461.8°C at 760 mmHg
• Flash Point: 191.5°C
• Density: 1.208g/cm³
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 234.079312947
• Heavy Atom Count: 18
• Complexity: 416

Purity/Quality:

97% ^*data from raw suppliers

1-Naphthyl(methoxy)Propanedinitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=C(C#N)C#N)C1=CC=CC2=CC=CC=C21
• Uses: 1-Naphthyl(methoxy) propanedinitrile is uses for tyrosine kinase src inhibitor design. Use for tyrosine kinase src inhibitor design.

Technology Process of 2-[Methoxy(naphthalen-1-yl)methylidene]propanedinitrile

There total 6 articles about 2-[Methoxy(naphthalen-1-yl)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:

dimethyl sulfate (77-78-1) + 2-(hydroxy-naphthalen-1-yl-methylene)-malononitrile → 2-(methoxy-naphthalen-1-yl-methylene)-malononitrile (221242-71-3)

Guidance literature:

With sodium hydrogencarbonate; In 1,4-dioxane; at 80 ℃; for 1h;

DOI:10.1021/ja983267v

Reference yield:

naphthalene-1-carbonic acid chloride (879-18-5) → 2-(methoxy-naphthalen-1-yl-methylene)-malononitrile (221242-71-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NaH / tetrahydrofuran / 0.5 h / Ambient temperature

2: aq. NaHCO₃ / dioxane / 1 h / 80 °C

With sodium hydride; sodium hydrogencarbonate; In tetrahydrofuran; 1,4-dioxane;

DOI:10.1021/ja983267v

Reference yield:

naphthalene-1-carbonic acid chloride (879-18-5) → 2-(methoxy-naphthalen-1-yl-methylene)-malononitrile (221242-71-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydride / tetrahydrofuran / 1 h / 20 °C

2: sodium hydrogencarbonate / water; 1,4-dioxane / 1 h / Reflux

With sodium hydride; sodium hydrogencarbonate; In tetrahydrofuran; 1,4-dioxane; water;

DOI:10.1021/jm4001314

upstream raw materials:

dimethyl sulfate

naphthalene-1-carbonic acid chloride

C₁₄H₈N₂O

1-naphthalenecarboxylic acid

Downstream raw materials:

5-amino-1-tert-butyl-3-naphthalen-1-yl-1H-pyrazole-4-carbonitrile

1-(tert-butyl)-3-(1-naphthyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

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