p-Bromophenyl heptyl ketone

Base Information

• Chemical Name: p-Bromophenyl heptyl ketone
• CAS No.: 7295-48-9
• Molecular Formula: C14H19BrO
• Molecular Weight: 283.208
• DSSTox Substance ID: DTXSID00223237
• Wikidata: Q83101665
• Mol file: 7295-48-9.mol

Synonyms:p-Bromophenyl heptyl ketone;7295-48-9;p-Octanoylbromobenzene;1-(4-bromophenyl)octan-1-one;p-Bromooctanophenone;P-BROMOPHENYL N-HEPTYL KETONE;SCHEMBL7907717;1-(4-bromophenyl)-octan-1-one;DTXSID00223237;1-(4-Bromo-phenyl)-octan-1-one;1-(4-Bromophenyl)-1-octanone #;MFCD00043526;AKOS009339590;FT-0675959

Chemical Property of p-Bromophenyl heptyl ketone

Chemical Property:

• Vapor Pressure: 3.94E-05mmHg at 25°C
• Refractive Index: 1.519
• Boiling Point: 352.1 °C at 760 mmHg
• Flash Point: 24.4 °C
• PSA: 17.07000
• Density: 1.199 g/cm³
• LogP: 4.99230
• XLogP3: 5.3
• 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:

98%Min ^*data from raw suppliers

p-BromophenylHeptylKetone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)C1=CC=C(C=C1)Br

Technology Process of p-Bromophenyl heptyl ketone

There total 5 articles about p-Bromophenyl heptyl ketone 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: 99.0%

1-(4-bromo-phenyl)-octan-1-ol (76287-55-3) → 1-(4-Bromophenyl)-1-octanone (7295-48-9)

Guidance literature:

With chromium(VI) oxide; tert.-butylhydroperoxide; In dichloromethane; for 20h; Ambient temperature;

DOI:10.1055/s-1993-25941

Reference yield: 86.0%

bromobenzene (108-86-1,52753-63-6) + n-octanoic acid chloride (111-64-8) → 1-(4-Bromophenyl)-1-octanone (7295-48-9)

Guidance literature:

With aluminum (III) chloride; at 50 ℃; for 3h;

DOI:10.1016/j.bmc.2014.06.038

Reference yield:

1-(4-bromo-phenyl)-octan-1-ol (76287-55-3) → 1-(4-Bromophenyl)-1-octanone (7295-48-9)

Guidance literature:

With potassium hydrogensulfate; at 150 - 170 ℃;

DOI:10.1021/ja01286a005

upstream raw materials:

1-(4-bromo-phenyl)-octan-1-ol

bromobenzene

n-octanoic acid chloride

4-bromo-benzaldehyde

Downstream raw materials:

4-(4'-n-octylphenyl)butan-1-ol

3-[4-(4-chloro-phenylethynyl)-benzoyl]-nonanoic acid ethyl ester

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