2-[(2-Fluorophenyl)methyl]propanedinitrile

Base Information

Chemical Name:2-[(2-Fluorophenyl)methyl]propanedinitrile
CAS No.:338965-16-5
Molecular Formula:C₁₀H₇FN₂
Molecular Weight:174.177
Hs Code.:2926907090
DSSTox Substance ID:DTXSID501268343
Mol file:338965-16-5.mol

Synonyms:2-[(2-fluorophenyl)methyl]propanedinitrile;338965-16-5;2-(2-fluorobenzyl)malononitrile;Bionet2_001017;SCHEMBL1443585;DTXSID501268343;HMS1366O05;MFCD00231635;MKR102081;AKOS005096135;6K-020

Suppliers and Price of 2-[(2-Fluorophenyl)methyl]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

Apolloscientific
2-[(2-Fluorophenyl)methyl]propanedinitrile tech
1g
$ 1378.00

Total 11 raw suppliers

Chemical Property of 2-[(2-Fluorophenyl)methyl]propanedinitrile

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:174.05932639
Heavy Atom Count:13
Complexity:241

Purity/Quality:

99% ,98%,Electron Grade , ^*data from raw suppliers

2-[(2-Fluorophenyl)methyl]propanedinitrile tech ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C(=C1)CC(C#N)C#N)F

Technology Process of 2-[(2-Fluorophenyl)methyl]propanedinitrile

There total 2 articles about 2-[(2-Fluorophenyl)methyl]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:

: 2698-43-3
2-(2-fluorobenzylidene)malononitrile

: 338965-16-5
2-(2-fluorobenzyl)malononitrile

Guidance literature:: With sodium cyanoborohydride; acetic acid; In tetrahydrofuran; at 20 ℃; for 3h;
DOI:10.3987/COM-10-12101

Reference yield:

: 446-52-6
2-Fluorobenzaldehyde

: 338965-16-5
2-(2-fluorobenzyl)malononitrile

Guidance literature:: Multi-step reaction with 2 steps

1: piperidine / tetrahydrofuran / 24 h / 20 °C

2: sodium cyanoborohydride; acetic acid / tetrahydrofuran / 3 h / 20 °C

With piperidine; sodium cyanoborohydride; acetic acid; In tetrahydrofuran; 1: Knoevenagel condensation;
DOI:10.3987/COM-10-12101

Reference yield: 95.0%

: 769-60-8
2-methyl-1-phenylprop-2-en-1-one

: 338965-16-5
2-(2-fluorobenzyl)malononitrile

: C₂₀H₁₇FN₂O

Guidance literature:: With (+)-(S)-2-amino-1-phenyl-3-(pyrrolidin-1-yl)propane; trifluorormethanesulfonic acid; In 2,2,2-trifluoroethanol; at 50 ℃; for 48h; enantioselective reaction;
DOI:10.1021/ol503566a