2-[Methoxy(4-methylphenyl)methylidene]propanedinitrile

Base Information

Chemical Name:2-[Methoxy(4-methylphenyl)methylidene]propanedinitrile
CAS No.:58791-95-0
Molecular Formula:C12H10N2O
Molecular Weight:198.22100
Hs Code.:
DSSTox Substance ID:DTXSID301218873
Mol file:58791-95-0.mol

Synonyms:58791-95-0;2-[METHOXY(4-METHYLPHENYL)METHYLIDENE]PROPANEDINITRILE;2-[methoxy-(4-methylphenyl)methylidene]propanedinitrile;2-(methoxy(p-tolyl)methylene)malononitrile;SCHEMBL725438;Propanedinitrile, [methoxy(4-methylphenyl)methylene]-;METHOXY(4-METHYLPHENYL)METHYLENE]PROPANEDINITRILE;LRPBIQKKNVMJSG-UHFFFAOYSA-N;DTXSID301218873;MFCD09752202;AKOS006326915;2-(Methoxy-p-tolyl-methylene)-malononitrile;2-[Methoxy(4-methylphenyl)methylene]propanedinitrile

Suppliers and Price of 2-[Methoxy(4-methylphenyl)methylidene]propanedinitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
2-(Methoxy(p-tolyl)methylene)malononitrile
100mg
$ 60.00

American Custom Chemicals Corporation
2-[METHOXY(4-METHYLPHENYL)METHYLIDENE]PROPANEDINITRILE 95.00%
5MG
$ 497.65

AK Scientific
2-(Methoxy(p-tolyl)methylene)malononitrile
5g
$ 1147.00

AK Scientific
2-[Methoxy(4-methylphenyl)methylidene]propanedinitrile
1g
$ 437.00

AK Scientific
2-(Methoxy(p-tolyl)methylene)malononitrile
100mg
$ 68.00

Total 5 raw suppliers

Chemical Property of 2-[Methoxy(4-methylphenyl)methylidene]propanedinitrile

Chemical Property:

Melting Point:102.0-103.5 °C(Solv: methanol (67-56-1))
Boiling Point:377.8±42.0 °C(Predicted)
PSA：56.81000
Density:1.126±0.06 g/cm3(Predicted)
LogP:2.39966
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:198.079312947
Heavy Atom Count:15
Complexity:326

Purity/Quality:

95% ^*data from raw suppliers

2-(Methoxy(p-tolyl)methylene)malononitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(=C(C#N)C#N)OC

Technology Process of 2-[Methoxy(4-methylphenyl)methylidene]propanedinitrile

There total 4 articles about 2-[Methoxy(4-methylphenyl)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: 94.0%

: 46290-14-6
4-methylbenzoylmalononitrile

: 77-78-1
dimethyl sulfate

: 58791-95-0
(2-methoxy-2-(4-methylphenyl)methylene)malononitrile

Guidance literature:: With sodium hydrogencarbonate; In 1,4-dioxane; water; for 2.5h; Reflux;
DOI:10.1002/jhet.1824

Reference yield:

: 874-60-2
4-methyl-benzoyl chloride

: 77-78-1
dimethyl sulfate

: 109-77-3
malononitrile

: 58791-95-0
(2-methoxy-2-(4-methylphenyl)methylene)malononitrile

Guidance literature:: 4-methyl-benzoyl chloride; malononitrile; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 0.5h;

dimethyl sulfate; With sodium hydrogencarbonate; In 1,4-dioxane; water; at 20 - 80 ℃; for 1h;

Reference yield:

: 874-60-2
4-methyl-benzoyl chloride

: 58791-95-0
(2-methoxy-2-(4-methylphenyl)methylene)malononitrile

Guidance literature:: Multi-step reaction with 2 steps

1: NaOEt / ethanol; benzene

2: aq. NaHCO₃ / dioxane

With sodium ethanolate; sodium hydrogencarbonate; In 1,4-dioxane; ethanol; benzene;
DOI:10.1002/jhet.5570120621