1-Bromo-11-fluoroundecane

Base Information

• Chemical Name: 1-Bromo-11-fluoroundecane
• CAS No.: 463-33-2
• Molecular Formula: C11H22BrF
• Molecular Weight: 253.198
• DSSTox Substance ID: DTXSID40196799
• Nikkaji Number: J3.311.781G
• Wikidata: Q83069813
• Mol file: 463-33-2.mol

Synonyms:1-Bromo-11-fluoroundecane;463-33-2;Undecane, 1-bromo-11-fluoro-;11-Fluoroundecyl bromide;11-Fluoro-1-bromoundecane;BRN 1699678;1-bromo-11-fluoro-undecane;4-01-00-00490 (Beilstein Handbook Reference);SCHEMBL1009362;DTXSID40196799;FT-0706285

Chemical Property of 1-Bromo-11-fluoroundecane

Chemical Property:

• Vapor Pressure: 0.00524mmHg at 25°C
• Refractive Index: 1.445
• Boiling Point: 284 °C at 760 mmHg
• Flash Point: 129.2 °C
• PSA: 0.00000
• Density: 1.106 g/cm³
• LogP: 4.86170
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 252.08889
• Heavy Atom Count: 13
• Complexity: 86.2

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CCCCCF)CCCCCBr

Technology Process of 1-Bromo-11-fluoroundecane

There total 1 articles about 1-Bromo-11-fluoroundecane 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: 69.0%

(11-bromoundecyl)trimethoxysilane (17947-99-8) → 1-bromo-11-fluoroundecane (463-33-2)

Guidance literature:

With 1,1,1,3',3',3'-hexafluoro-propanol; iodosylbenzene; DMPU-HF; cesium fluoride; In 1,4-dioxane; at 25 ℃; for 12h; Glovebox;

DOI:10.1002/anie.201609741

Reference yield:

1-bromo-11-fluoroundecane (463-33-2) + sodium cyanide (143-33-9,25596-52-5) → 12-fluoro-dodecanenitrile (334-71-4)

Guidance literature:

With ethanol;

DOI:10.1021/jo01113a006

Reference yield:

1-bromo-11-fluoroundecane (463-33-2) → 12-fluorododecanoic acid (593-11-3)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous ethanol

2: concentrated aqueous hydrochloric acid

With hydrogenchloride; ethanol;

DOI:10.1021/jo01113a006

upstream raw materials:

(11-bromoundecyl)trimethoxysilane

Downstream raw materials:

12-fluoro-dodecanenitrile

12-fluorododecanoic acid

Refernces