2-Bromodecane

Base Information

• Chemical Name: 2-Bromodecane
• CAS No.: 39563-53-6
• Molecular Formula: C₁₀H₂₁Br
• Molecular Weight: 221.181
• NSC Number: 97550
• Nikkaji Number: J257.994D
• Mol file: 39563-53-6.mol

Synonyms:2-bromodecane;39563-53-6;Decane, 2-bromo-;NSC 97550;SCHEMBL380134;NSC97550;NSC-97550;AKOS009158467;FT-0639557

Chemical Property of 2-Bromodecane

Chemical Property:

• Vapor Pressure: 0.0876mmHg at 25°C
• Melting Point: -29.2°C (estimate)
• Refractive Index: 1.4530
• Boiling Point: 232.9°Cat760mmHg
• Flash Point: 70.6°C
• PSA: 0.00000
• Density: 1.067g/cm³
• LogP: 4.52040
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 220.08266
• Heavy Atom Count: 11
• Complexity: 71.3

Purity/Quality:

99% ^*data from raw suppliers

2-BROMODECANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCC(C)Br

Technology Process of 2-Bromodecane

There total 2 articles about 2-Bromodecane 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-Decene (872-05-9,17438-89-0,25189-70-2) → 2-bromodecane (39563-53-6,150927-20-1,150927-31-4) + 1-bromo dodecane (112-29-8)

Guidance literature:

With hydrogen bromide; acetic acid; In dichloromethane; at 20 ℃; for 2h; regioselective reaction; Sealed tube;

DOI:10.1021/acs.orglett.1c04156

Reference yield:

decane (124-18-5) → 2-bromodecane (39563-53-6,150927-20-1,150927-31-4) + 4-bromodecane (102878-40-0) + 5-decyl bromide (62065-03-6) + 3-Bromdecan (30571-71-2)

Guidance literature:

With carbon tetrabromide; CuBr₂*4Bu₃(PhCH₂)NBr; at 150 ℃; for 2h; Further Variations:; Catalysts; Product distribution;

DOI:10.1023/A:1020889209717

Reference yield: 78.0%

2-bromodecane (39563-53-6,150927-20-1,150927-31-4) → decan-2-ol (1120-06-5)

Guidance literature:

In water; at 100 ℃; for 24h;

DOI:10.1021/jo00156a045

upstream raw materials:

decane

1-Decene

Downstream raw materials:

decan-2-ol

2-Nitro-n-decan

2--ethanthioschwefelsaeure

3-methylundecanoic acid

Refernces

• 1、 Smirnov,Zelikman,Beletskaya,Golubeva,Tsvetkov,Levitskii,Kazankova. "Carbon tetrabromide - A new brominating agent for alkanes and arylalkanes". . p. 962 - 966. Retrieved 2007/10/03.