4-Hexylphenacyl bromide

Base Information

• Chemical Name: 4-Hexylphenacyl bromide
• CAS No.: 64328-69-4
• Molecular Formula: C14H19BrO
• Molecular Weight: 283.208
• DSSTox Substance ID: DTXSID201299240
• Nikkaji Number: J1.852.349C

Synonyms:4-hexylphenacyl bromide;SCHEMBL7736637;LLUSVHXXWLBKNT-UHFFFAOYSA-N;DTXSID201299240;2-bromo-1-(4-hexylphenyl)ethanone;64328-69-4

Chemical Property of 4-Hexylphenacyl bromide

Chemical Property:

• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 282.06193
• Heavy Atom Count: 16
• Complexity: 195

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC1=CC=C(C=C1)C(=O)CBr

Technology Process of 4-Hexylphenacyl bromide

There total 3 articles about 4-Hexylphenacyl bromide 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: 44.0%

1-(4-hexyl-phenyl)-ethanone (37592-72-6) → 2-bromo-1-(4-hexylphenyl)ethan-1-one (64328-69-4)

Guidance literature:

With copper(ll) bromide; In ethyl acetate; for 8h; Reflux;

DOI:10.3390/molecules24152719

Reference yield:

4-hexylbenzoyl chloride (50606-95-6) → 2-bromo-1-(4-hexylphenyl)ethan-1-one (64328-69-4)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / 1 h / 0 °C

2: hydrogen bromide / dichloromethane / 0.25 h

With hydrogen bromide; In diethyl ether; dichloromethane;

DOI:10.1021/ml200290p

Reference yield:

2-diazo-1-(4-hexylphenyl)ethan-1-one → 2-bromo-1-(4-hexylphenyl)ethan-1-one (64328-69-4)

Guidance literature:

With hydrogen bromide; at 0 ℃; for 1h;

DOI:10.1016/j.tet.2015.09.019

upstream raw materials:

1-(4-hexyl-phenyl)-ethanone

4-hexylbenzoyl chloride

Downstream raw materials:

4-(4-Hexyl-phenyl)-N¹-[1-phenyl-meth-(Z)-ylidene]-imidazole-1,2-diamine

C₄₄H₄₈N₈

C₁₅H₂₁N₃*ClH

C₂₀H₂₉N₃O₂

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