2,6-Dibromoheptane

Base Information

• Chemical Name: 2,6-Dibromoheptane
• CAS No.: 61485-85-6
• Molecular Formula: C7H14Br2
• Molecular Weight: 257.996
• DSSTox Substance ID: DTXSID80543581
• Nikkaji Number: J90.155E
• Mol file: 61485-85-6.mol

Synonyms:2,6-Dibromoheptane;61485-85-6;2,6-Dibromo-heptane;SCHEMBL8444152;DTXSID80543581

Chemical Property of 2,6-Dibromoheptane

Chemical Property:

• Refractive Index: 1.4981 (estimate)
• Boiling Point: 224.92°C (estimate)
• PSA: 0.00000
• Density: 1.5944 (estimate)
• LogP: 3.72350
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 257.94418
• Heavy Atom Count: 9
• Complexity: 55.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCC(C)Br)Br

Technology Process of 2,6-Dibromoheptane

There total 6 articles about 2,6-Dibromoheptane 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:

1-benzoyl-2,6-dimethyl-piperidine (20722-53-6) → 2,6-dibromoheptane (61485-85-6) + benzonitrile (100-47-0)

Guidance literature:

With bromine; phosphorus tribromide; Yield given. Multistep reaction; 1.) from 24 deg C to 34 deg C, 2.) reflux, 2 h;

DOI:10.1021/jo00362a009

Reference yield:

N-benzoyl-cis-2,6-dimethylpiperidine (17037-71-7) → 2,6-dibromoheptane (61485-85-6)

Guidance literature:

N-benzoyl-cis-2,6-dimethylpiperidine; With phosphorus tribromide; sodium thiosulfate; In tetrachloromethane; for 1h; Inert atmosphere; Schlenk technique; Glovebox;

With bromine; In tetrachloromethane; at 20 - 32 ℃; Inert atmosphere; Schlenk technique; Glovebox;

DOI:10.1002/chem.201804777

Reference yield:

heptane-2,6-diol (5969-12-0) → 2,6-dibromoheptane (61485-85-6)

Guidance literature:

With hydrogen bromide; at 100 - 120 ℃;

upstream raw materials:

heptane-2,6-diol

1-benzoyl-2,6-dimethyl-piperidine

6-hydroxyheptan-2-one

(2R,6S)-2,6-dimethylpiperidine