4-Cyanostilbene

Base Information

• Chemical Name: 4-Cyanostilbene
• CAS No.: 13041-79-7
• Molecular Formula: C15H11 N
• Molecular Weight: 205.259
• Hs Code.: 2926909090
• European Community (EC) Number: 680-185-8
• Nikkaji Number: J129.455E,J145.986D
• ChEMBL ID: CHEMBL4065915
• Mol file: 13041-79-7.mol

Synonyms:4-Cyanostilbene;13041-79-7;Stilbene-4-carbonitrile;(E)-4-Styrylbenzonitrile;4-cyano-trans-stilbene;1552-58-5;Benzonitrile, 4-(2-phenylethenyl)-, (E)-;4-Stilbenecarbonitrile, (E)-;trans-p-Cyanostilbene;(E)-4-cyanostilbene;Benzonitrile, 4-[(1E)-2-phenylethenyl]-;(E)-Stilbene-4-carbonitrile;SCHEMBL700236;SCHEMBL700237;CHEMBL4065915;2-PROPYL-4-PENTENOICACID;Benzonitrile, 4-(2-phenylethenyl)-;MFCD00489188;(E)-4-(2-Phenylethenyl)benzonitrile;AKOS015836410;4-[(E)-2-Phenylethenyl]benzonitrile #;BS-43859;CS-0444406;T70198

Chemical Property of 4-Cyanostilbene

Chemical Property:

• Melting Point: 117 °C
• Refractive Index: 1.617
• Boiling Point: 367.1±22.0 °C(Predicted)
• PSA: 23.79000
• Density: 1.10±0.1 g/cm3(Predicted)
• LogP: 3.72868
• Solubility.: soluble in Toluene
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 205.089149355
• Heavy Atom Count: 16
• Complexity: 269

Purity/Quality:

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

4-Cyanostilbene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C#N
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C#N

Technology Process of 4-Cyanostilbene

There total 137 articles about 4-Cyanostilbene 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: 99.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 4-bromobenzenecarbonitrile (623-00-7) → (E)-1-cyano-4-styryl-benzene (13041-79-7)

Guidance literature:

With sodium acetate; [(t-butylselanyl-benzene)(PdOAc)]2; In N,N-dimethyl acetamide; at 140 ℃; for 20h;

DOI:10.1021/ol0486977

Reference yield: 99.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 4-Cyanochlorobenzene (623-03-0) → 4-cyanostilbene (13041-79-7,14064-68-7,68331-40-8,144606-12-2,1552-58-5,130059-93-7)

Guidance literature:

With tetrabutylammomium bromide; sodium acetate; C₂₇H₂₁FN₄O₂Pd; at 140 ℃; for 2h; Schlenk technique; Inert atmosphere;

DOI:10.1002/ejic.202000530

Reference yield: 99.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 4-Cyanochlorobenzene (623-03-0) → (E)-1-cyano-4-styryl-benzene (13041-79-7)

Guidance literature:

With tetrakis[μ-1-[(3-methoxyphenyl)methyl]-2-phenyl-3-[2-oxo-2-[(2-phenolato-kO)aminokN]ethyl]-1H-imidazoliumato-kC⁴]tetrapalladium; tetrabutylammomium bromide; sodium acetate; at 140 ℃; for 2h;

DOI:10.1002/adsc.201900805

upstream raw materials:

4-cyanophenylacetic acid

benzaldehyde

phenylacetic acid

4-cyanobenzaldehyde

Downstream raw materials:

(E)-4-stilbenecarboxylic acid

trans-stilbene-carboxamidine-⁽⁴⁾

(E)-methyl 4-styrylbenzoate

(Z)-4-cyanostilbene