3-(4-Heptylphenyl)prop-2-enoyl chloride

Base Information

• Chemical Name: 3-(4-Heptylphenyl)prop-2-enoyl chloride
• CAS No.: 57045-19-9
• Molecular Formula: C₁₆H₂₁ClO
• Molecular Weight: 264.795
• DSSTox Substance ID: DTXSID50709713

Synonyms:3-(4-HEPTYLPHENYL)PROP-2-ENOYL CHLORIDE;57045-19-9;p-n-heptylcinnamic acid chloride;DTXSID50709713;PNGABSLKIWVPMN-UHFFFAOYSA-N

Chemical Property of 3-(4-Heptylphenyl)prop-2-enoyl chloride

Chemical Property:

• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 264.1280930
• Heavy Atom Count: 18
• Complexity: 252

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC1=CC=C(C=C1)C=CC(=O)Cl

Technology Process of 3-(4-Heptylphenyl)prop-2-enoyl chloride

There total 2 articles about 3-(4-Heptylphenyl)prop-2-enoyl chloride 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:

p-Heptylzimtsaeure (57045-20-2) → (E)-3-(4-Heptyl-phenyl)-acryloyl chloride (57045-19-9)

Guidance literature:

With thionyl chloride;

Reference yield:

4-heptylbenzaldehyde (49763-67-9) → (E)-3-(4-Heptyl-phenyl)-acryloyl chloride (57045-19-9)

Guidance literature:

Multi-step reaction with 2 steps

2: SOCl₂

With thionyl chloride; 1: Condensation / 2: Chlorination;

Reference yield: 38.7%

(E)-3-(4-Heptyl-phenyl)-acryloyl chloride (57045-19-9) + 4-Heptyloxy-2-nitro-phenol (81259-75-8) → (E)-3-(4-Heptyl-phenyl)-acrylic acid 4-heptyloxy-2-nitro-phenyl ester (79887-33-5)

Guidance literature:

With pyridine; for 14h; Ambient temperature;

upstream raw materials:

p-Heptylzimtsaeure

4-heptylbenzaldehyde

Downstream raw materials:

(E)-3-(4-Heptyl-phenyl)-acrylic acid 4-heptyl-2-nitro-phenyl ester

(E)-3-(4-Heptyl-phenyl)-acrylic acid 4-butoxy-2-nitro-phenyl ester

(E)-3-(4-Heptyl-phenyl)-acrylic acid 4-heptyloxy-2-nitro-phenyl ester

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