1,3-Bis[4-chlorophenyl]-2-buten-1-one

Base Information

• Chemical Name: 1,3-Bis[4-chlorophenyl]-2-buten-1-one
• CAS No.: 16197-82-3
• Molecular Formula: C16H12 Cl2 O
• Molecular Weight: 291.177
• NSC Number: 22379
• Nikkaji Number: J1.964.379D
• Mol file: 16197-82-3.mol

Synonyms:NSC22379;SCHEMBL11822730;JCLHZOCYZUYOCS-ZHACJKMWSA-N;NSC-22379;1,3-Bis[4-chlorophenyl]-2-buten-1-one;(E)-1,3-Bis(4-chlorophenyl)-2-butene-1-one;(2E)-1,3-Bis(4-chlorophenyl)-2-buten-1-one #;16197-82-3

Chemical Property of 1,3-Bis[4-chlorophenyl]-2-buten-1-one

Chemical Property:

• Vapor Pressure: 2.91E-07mmHg at 25°C
• Boiling Point: 420°C at 760 mmHg
• Flash Point: 177.4°C
• Density: 1.246g/cm³
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 290.0265204
• Heavy Atom Count: 19
• Complexity: 335

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3-Bis[4-chlorophenyl]-2-buten-1-one

There total 7 articles about 1,3-Bis[4-chlorophenyl]-2-buten-1-one 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: 89.0%

para-chloroacetophenone (99-91-2) → 1,3,5-tri(4-chlorophenyl)benzene (6326-61-0) + 1,3-bis(4-chlorophenyl)but-2-en-1-one (16197-82-3)

Guidance literature:

With zirconocene bis(perfluorooctanesulfonate); In toluene; at 110 ℃; for 6h; chemoselective reaction;

DOI:10.1080/00397911.2010.532277

Reference yield: 72.0%

para-chloroacetophenone (99-91-2) → (E)-1,3- bis(4-chlorophenyl)but-2-en-1-one (16197-82-3)

Guidance literature:

With zinc(II) chloride; In neat (no solvent); at 100 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1080/00397911.2019.1689268

Reference yield: 56.0%

para-chloroacetophenone (99-91-2) → 1,3,5-tri(4-chlorophenyl)benzene (6326-61-0) + (E)-1,3- bis(4-chlorophenyl)but-2-en-1-one (16197-82-3) + (Z)-1,3-Bis-(4-chloro-phenyl)-but-2-en-1-one

Guidance literature:

With tetrachlorosilane; In ethanol; for 3h; Ambient temperature;

upstream raw materials:

para-chloroacetophenone

2-bromo-1,3-bis(4-chlorophenyl)propane-1,3-dione

Downstream raw materials:

1,3-bis(4-chlorophenyl)-1-methyl-1H-benzo[f]chromene

C₁₆H₁₄Cl₂O

C₁₆H₁₄Cl₂O₃

1,3-Bis-(4-chlor-phenyl)-but-2-en-1-on-guanylhydrazon