1-Bromooctan-2-one

Base Information

• Chemical Name: 1-Bromooctan-2-one
• CAS No.: 26818-08-6
• Molecular Formula: C8H15BrO
• Molecular Weight: 207.111
• European Community (EC) Number: 248-014-8
• DSSTox Substance ID: DTXSID30181311
• Nikkaji Number: J249.051J
• Wikidata: Q72448868
• Mol file: 26818-08-6.mol

Synonyms:1-Bromooctan-2-one;26818-08-6;2-Octanone, 1-bromo-;EINECS 248-014-8;C8H15BrO;1-bromo-2-octanone;1-bromo-octan-2-one;2-Octanone, 1-bromo;SCHEMBL868234;DTXSID30181311;YVQBIERXAUCGHI-UHFFFAOYSA-N;BBA81808;AKOS026729981;FT-0710877;EN300-160512

Chemical Property of 1-Bromooctan-2-one

Chemical Property:

• Vapor Pressure: 0.0565mmHg at 25°C
• Refractive Index: 1.46
• Boiling Point: 233.2 °C at 760 mmHg
• Flash Point: 37.3 °C
• PSA: 17.07000
• Density: 1.211 g/cm³
• LogP: 2.92080
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 206.03063
• Heavy Atom Count: 10
• Complexity: 91.3

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=O)CBr

Technology Process of 1-Bromooctan-2-one

There total 19 articles about 1-Bromooctan-2-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: 95.0%

1-bromo-1-octyne (38761-67-0) → 1-bromooctan-2-one (26818-08-6)

Guidance literature:

With water; In 1,2-dichloro-ethane; at 20 ℃; for 14h;

DOI:10.1080/00397911.2018.1528616

Reference yield: 92.0%

oct-1-ene (111-66-0,25068-25-1) → 1-bromooctan-2-one (26818-08-6)

Guidance literature:

With tetraethylammonium bromide; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dichloromethane; at 20 ℃; for 0.0833333h; regioselective reaction;

DOI:10.1055/s-0030-1259090

Reference yield: 83.0%

n-octyne (629-05-0) → 1-bromooctan-2-one (26818-08-6)

Guidance literature:

With N,N'-ethylenethiourea; 1,3-dibromo-5,5-dimethylhydantoin; water; In acetone; at 45 ℃;

DOI:10.1039/c7gc00283a

upstream raw materials:

hexyl-methyl-ketone

diazomethane

Heptanoic acid chloride

oct-1-ene

Downstream raw materials:

2,5-Undecanedione

hexyl-methyl-ketone

1-hydroxy-1-phenyl-3-nonanone

5-hexyldihydro-2(3H)-furanone