3-Chloro-4-(4-(2-chloro-4-nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride

Base Information

• Chemical Name: 3-Chloro-4-(4-(2-chloro-4-nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride
• CAS No.: 31368-25-9
• Molecular Formula: C₁₆H₁₀Cl₂FNO₄S
• Molecular Weight: 402.23
• NSC Number: 138274
• Mol file: 31368-25-9.mol

Synonyms:31368-25-9;3-Chloro-4-(4-(2-chloro-4-nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride;NSC138274;starbld0019449;NSC-138274

Chemical Property of 3-Chloro-4-(4-(2-chloro-4-nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride

Chemical Property:

• Vapor Pressure: 3.65E-11mmHg at 25°C
• Boiling Point: 539.6°C at 760 mmHg
• Flash Point: 280.1°C
• Density: 1.513g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 400.9691625
• Heavy Atom Count: 25
• Complexity: 629

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C=CC=CC2=C(C=C(C=C2)S(=O)(=O)F)Cl
• Isomeric SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)/C=C/C=C/C2=C(C=C(C=C2)S(=O)(=O)F)Cl

Technology Process of 3-Chloro-4-(4-(2-chloro-4-nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride

There total 2 articles about 3-Chloro-4-(4-(2-chloro-4-nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride 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:

4-Bromomethyl-3-chloro-benzenesulfonyl fluoride → 3-Chloro-4-[(1E,3E)-4-(2-chloro-4-nitro-phenyl)-buta-1,3-dienyl]-benzenesulfonyl fluoride (31368-25-9)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene / Heating

In benzene;

DOI:10.1021/jm00300a030

Reference yield:

(E)-3-(2-Chloro-4-nitro-phenyl)-propenal (24893-01-4) + (2-Chloro-4-fluorosulfonyl-benzyl)-triphenyl-phosphonium; bromide → 3-Chloro-4-[(1E,3E)-4-(2-chloro-4-nitro-phenyl)-buta-1,3-dienyl]-benzenesulfonyl fluoride (31368-25-9)

Guidance literature:

DOI:10.1021/jm00300a030

upstream raw materials:

(E)-3-(2-Chloro-4-nitro-phenyl)-propenal

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