2-(1-(4-Nitrophenyl)propylidene)malononitrile

Base Information

Chemical Name:2-(1-(4-Nitrophenyl)propylidene)malononitrile
CAS No.:605661-10-7
Molecular Formula:C12H9N3O2
Molecular Weight:227.222
Hs Code.:2926909090
DSSTox Substance ID:DTXSID80467859
Mol file:605661-10-7.mol

Synonyms:2-(1-(4-NITROPHENYL)PROPYLIDENE)MALONONITRILE;605661-10-7;SCHEMBL4468183;DTXSID80467859;AB44243;[1-(4-Nitrophenyl)propylidene]propanedinitrile

Suppliers and Price of 2-(1-(4-Nitrophenyl)propylidene)malononitrile

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

American Custom Chemicals Corporation
2-(1-(4-NITROPHENYL)PROPYLIDENE)MALONONITRILE 95.00%
5MG
$ 499.22

Total 2 raw suppliers

Chemical Property of 2-(1-(4-Nitrophenyl)propylidene)malononitrile

Chemical Property:

PSA：93.40000
LogP:3.32876
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:227.069476538
Heavy Atom Count:17
Complexity:404

Purity/Quality:

98%min ^*data from raw suppliers

2-(1-(4-NITROPHENYL)PROPYLIDENE)MALONONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(=C(C#N)C#N)C1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of 2-(1-(4-Nitrophenyl)propylidene)malononitrile

There total 2 articles about 2-(1-(4-Nitrophenyl)propylidene)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: 93.0%

: 3758-70-1
1-(4-nitrophenyl)propan-1-one

: 109-77-3
malononitrile

: 605661-10-7
2-[1-(4-nitrophenyl)propylidene]malononitrile

Guidance literature:: With ammonium acetate; acetic acid; In benzene; for 18h; Heating;
DOI:10.1021/jm050458h

Reference yield:

: 122-04-3
4-nitro-benzoyl chloride

: 605661-10-7
2-[1-(4-nitrophenyl)propylidene]malononitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: ZnCl₂ / tetrahydrofuran / 0.5 h / 0 - 20 °C

1.2: 40 percent / Pd(PPh₃)4 / tetrahydrofuran / 0.67 h / 0 °C

2.1: 93 percent / NH₄OAc; AcOH / benzene / 18 h / Heating

With ammonium acetate; acetic acid; zinc(II) chloride; In tetrahydrofuran; benzene; 2.1: Knoevenagel condensation;
DOI:10.1021/jm050458h