2-Bromododecane

Base Information

• Chemical Name: 2-Bromododecane
• CAS No.: 13187-99-0
• Molecular Formula: C12H25Br
• Molecular Weight: 249.234
• Hs Code.: 2903399090
• European Community (EC) Number: 236-142-7
• NSC Number: 97571
• DSSTox Substance ID: DTXSID40927848
• Nikkaji Number: J149.816I
• Mol file: 13187-99-0.mol

Synonyms:2-Bromododecane;13187-99-0;Dodecane, 2-bromo-;2-Bromo dodecane;EINECS 236-142-7;2-bromo-dodecane;SCHEMBL1001129;DTXSID40927848;NSC97571;NSC 97571;NSC-97571;AKOS009156715;2-Bromododecane, technical grade, 85%;13287-02-0;J-006076

Chemical Property of 2-Bromododecane

Chemical Property:

• Vapor Pressure: 0.29 psi ( 20 °C)
• Melting Point: −96 °C(lit.)
• Refractive Index: n20/D 1.4555(lit.)
• Boiling Point: 130 °C6 mm Hg(lit.)
• Flash Point: 83.8°C
• PSA: 0.00000
• Density: 1.037g/cm³
• LogP: 5.30060
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 248.11396
• Heavy Atom Count: 13
• Complexity: 91.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Bromododecane technical grade, 85% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC(C)Br
• Uses: 2-Bromododecane was used as growth substrate to investigate the fatty acid composition of cellular lipids of Rhodococcus rhodochrous NCIMB 13064 grown on various long-chain haloalkanes. It was used to compare the in vitro methods:yeast resazurin and 3-[4,5-dimethylthiazol-2-yl]-2,5-diphenyltetrazolium bromide assay for determining the acute toxicity of halogenated alkanes.

Technology Process of 2-Bromododecane

There total 8 articles about 2-Bromododecane 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%

2-monofluorododecane (114114-76-0) → 2-bromododecane (13187-99-0)

Guidance literature:

With dibromobis(cyclopentadienyl)titanium(IV); triethylaluminum; 1,1-dibromomethane; In hexane; at 20 ℃; for 0.5h;

DOI:10.1021/acs.orglett.5b02589

Reference yield: 92.0%

rac-2-dodecanol (10203-28-8) → 2-bromododecane (13187-99-0)

Guidance literature:

rac-2-dodecanol; With copper(II) bis(trifluoromethanesulfonate); diisopropyl-carbodiimide; at 20 ℃; for 1h;

With N-Bromosuccinimide; In 1,4-dioxane; at 100 ℃; for 2h;

DOI:10.1016/j.tetlet.2003.09.024

Reference yield: 86.0%

1-dodecene (112-41-4,25067-08-7,62132-67-6) → 2-bromododecane (13187-99-0)

Guidance literature:

With hydrogen bromide; cetyltributylphosphonium bromide; at 115 ℃; for 2h; Product distribution; other alkenes, other reagents (other concentrations), other times, other temperatures, other catalysts;

DOI:10.1021/jo01305a038

upstream raw materials:

1-dodecene

rac-2-dodecanol

dodecane

Iododecane

Downstream raw materials:

2-dodecanethiol

<(1-methylundecyl)telluro>benzene

dodecane

4-(1-Methyl-undecylamino)-benzoic acid ethyl ester

Refernces

• 1、 Mizukami, Yuki,Song, Zhiyi,Takahashi, Tamotsu. "Halogen Exchange Reaction of Aliphatic Fluorine Compounds with Organic Halides as Halogen Source". supporting information. p. 5942 - 5945. Retrieved 2016/01/09.
• 2、 Smirnov,Zelikman,Beletskaya,Golubeva,Tsvetkov,Levitskii,Kazankova. "Carbon tetrabromide - A new brominating agent for alkanes and arylalkanes". . p. 962 - 966. Retrieved 2007/10/03.