3-[(E)-2-Phenylethenyl]aniline

Base Information

• Chemical Name: 3-[(E)-2-Phenylethenyl]aniline
• CAS No.: 14064-82-5
• Molecular Formula: C14H13N
• Molecular Weight: 195.264
• Nikkaji Number: J81.711B,J90.152K
• ChEMBL ID: CHEMBL1642686
• Mol file: 14064-82-5.mol

Synonyms:3-[(E)-2-Phenylethenyl]aniline;14064-82-5;3-Stilbenamine, (E)-;trans-o-Aminostilbene;trans-3-aminostilbene;(E)-3-aminostilbene;(E)-3-Styrylaniline;(E)-Stilbene-3-amine;Benzenamine, 3-(2-phenylethenyl)-, (E)-;CHEMBL1642686;3-((E)-2-Phenylethenyl)aniline;3-[(1E)-2-phenylethenyl]aniline;61424-28-0;3-Aminostilbene;3-Aminostilben;SCHEMBL2775800;SCHEMBL2775801;STNDIHAVRCIBCC-MDZDMXLPSA-;BDBM50334281;AKOS005158559;InChI=1/C14H13N/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-11H,15H2/b10-9+

Chemical Property of 3-[(E)-2-Phenylethenyl]aniline

Chemical Property:

• Vapor Pressure: 1.81E-05mmHg at 25°C
• Boiling Point: 363.4°Cat760mmHg
• PKA: 4.34±0.10(Predicted)
• Flash Point: 187.8°C
• PSA: 26.02000
• Density: 1.116g/cm³
• LogP: 4.02040
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 195.104799419
• Heavy Atom Count: 15
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-[(E)-2-Phenylethenyl]aniline

There total 8 articles about 3-[(E)-2-Phenylethenyl]aniline 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%

1-(3-aminophenyl)-2-phenylacetylene (51624-44-3) → trans-3-aminostilbene (14064-82-5,61424-28-0)

Guidance literature:

With water; potassium ethyl xanthogenate; In N,N-dimethyl-formamide; at 130 ℃; for 12h; stereoselective reaction; Schlenk technique;

DOI:10.1039/C9CC00128J

Reference yield: 85.0%

3-nitrostilbene (14064-52-9) → trans-3-aminostilbene (14064-82-5,61424-28-0)

Guidance literature:

With hydrogenchloride; zinc; In acetic acid;

DOI:10.1021/jp036723x

Reference yield: 76.0%

3-aminobenzenemethanol (1877-77-6) + phenylacetonitrile (140-29-4) → trans-3-aminostilbene (14064-82-5,61424-28-0)

Guidance literature:

With C₁₅H₂₅Cl₂N₃NiO₃; potassium tert-butylate; In octane; at 120 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.joc.1c00592

upstream raw materials:

3-nitrostilbene

3-nitro-benzaldehyde

(E)-3-phenylacrylic acid

3-nitro-aniline

Downstream raw materials:

(E)-6-Styrylisatin

(E)-N,N-dimethyl-3-(2-phenylethenyl)aniline

cis-meta-aminostilbene

trans-3-(trifluoromethanesulfonamido)stilbene