beta-Anilinochalcone

Base Information

• Chemical Name: beta-Anilinochalcone
• CAS No.: 20964-94-7
• Molecular Formula: C₂₁H₁₇NO
• Molecular Weight: 299.372
• NSC Number: 167326,167267
• Nikkaji Number: J472.300G
• Mol file: 20964-94-7.mol

Synonyms:beta-Anilinochalcone;NSC167267;20964-94-7;63255-41-4;SCHEMBL3080209;NSC167326;NSC-167267;NSC-167326

Chemical Property of beta-Anilinochalcone

Chemical Property:

• Vapor Pressure: 7.9E-09mmHg at 25°C
• Boiling Point: 465.1°Cat760mmHg
• Flash Point: 160.4°C
• Density: 1.164g/cm³
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 299.131014166
• Heavy Atom Count: 23
• Complexity: 396

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)NC3=CC=CC=C3
• Isomeric SMILES: C1=CC=C(C=C1)/C(=C\C(=O)C2=CC=CC=C2)/NC3=CC=CC=C3

Technology Process of beta-Anilinochalcone

There total 11 articles about beta-Anilinochalcone 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: 95.0%

1,3-diphenylpropanedione (120-46-7,61346-73-4) + aniline (62-53-3) → 1,3-diphenyl-3-phenylaminopropenone (63255-41-4,70008-84-3,20964-94-7)

Guidance literature:

With silica; In neat (no solvent); at 20 ℃; for 1.08333h; Green chemistry;

DOI:10.1007/s00706-016-1654-5

Reference yield: 69.0%

iodobenzene (591-50-4) + carbon monoxide (201230-82-2) + phenylacetylene (536-74-3) + aniline (62-53-3) → 1,3-diphenyl-3-phenylaminopropenone (63255-41-4,70008-84-3,20964-94-7)

Guidance literature:

With C₁₄H₁₆Cl₂N₄Pd; triethylamine; In methanol; at 110 ℃; for 4h; under 750.075 Torr; Autoclave;

DOI:10.1002/cctc.201402277

Reference yield: 65.0%

1,3-diphenyl-3-(N-phenylamino)propanone (742-43-8) → 1,3-diphenyl-3-phenylaminopropenone (63255-41-4,70008-84-3,20964-94-7)

Guidance literature:

With iodine; In dimethyl sulfoxide; at 130 ℃; for 0.5h; regioselective reaction;

DOI:10.1080/00397911.2012.667490

upstream raw materials:

1,3-diphenylpropanedione

aniline

(Z)-3-hydroxy-1,3-diphenyl-2-propen-1-one

1,3-diphenyl-2-propynone

Downstream raw materials:

[2,3-⁽¹³⁾C₂]-4-benzoyl-1,5-diphenyl-1H-pyrrol-2,3-dione

5-acetyl-3-benzoyl-1,4-dihydro-1, 2-diphenyl-6-methylpyridine

5-benzoyl-1,6-diphenyl-3,4-dihydropyridin-2(1H)-one

(1,5-diphenyl-1H-1,2,3-triazol-4-yl)(phenyl)methanone