1-Fluorododecane

Base Information

• Chemical Name: 1-Fluorododecane
• CAS No.: 334-68-9
• Molecular Formula: C12H25 F
• Molecular Weight: 188.329
• European Community (EC) Number: 206-381-1
• DSSTox Substance ID: DTXSID6074706
• Nikkaji Number: J42.965A
• Wikidata: Q81977035
• Mol file: 334-68-9.mol

Synonyms:1-FLUORODODECANE;334-68-9;Dodecyl fluoride;Dodecane, 1-fluoro-;n-Dodecyl fluoride;EINECS 206-381-1;BRN 1738884;4-01-00-00500 (Beilstein Handbook Reference);1-fluoro-dodecane;1-fluoranyldodecane;1-Fluorododecane, 98%;SCHEMBL318325;DTXSID6074706;C12H25F;C12-H25-F;MFCD00013580;AKOS007930497;MFCD000013580;AS-81226;LS-63486;FT-0607782;A821788;J-019203

Chemical Property of 1-Fluorododecane

Chemical Property:

• Melting Point: -13°C
• Refractive Index: n20/D 1.42(lit.)
• Boiling Point: 224.6°Cat760mmHg
• Flash Point: 146.8°C
• PSA: 0.00000
• Density: 0.811g/cm³
• LogP: 4.87680
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 188.194028960
• Heavy Atom Count: 13
• Complexity: 81.2

Purity/Quality:

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

1-Fluorododecane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T+,F
• Statements: 28
• Safety Statements: 28-36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCF

Technology Process of 1-Fluorododecane

There total 28 articles about 1-Fluorododecane 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: 97.0%

lauryl triflate (75618-27-8) → 1-fluorododecane (334-68-9)

Guidance literature:

With 1,1,3,3-Tetramethyldisiloxane; IPrCuOTf; cesium fluoride; In 1,4-dioxane; at 45 ℃; for 6h; Inert atmosphere; Glovebox;

DOI:10.1021/jacs.5b03086

Reference yield: 93.0%

dodecyl mesylate (51323-71-8) → 1-fluorododecane (334-68-9)

Guidance literature:

With cesium fluoride; In tert-butyl alcohol; at 100 ℃; for 0.75h; Inert atmosphere; Ionic liquid;

DOI:10.1016/j.jfluchem.2015.06.022

Reference yield: 93.0%

1-dodecyl alcohol (112-53-8) → 1-fluorododecane (334-68-9)

Guidance literature:

With N,N-diethyl-α,α-difluoro-(meta-methylbenzyl)amine; at 20 ℃; for 0.166667h; Product distribution / selectivity; Microwave irradiation;

upstream raw materials:

1-dodecylbromide

tris(dodecyloxy)borane

n-dodecyllithium

2-dodecyl-1,1-diphenyl-isourea; hydrofluoride

Downstream raw materials:

dodecane

tetradecane

1-dodecylbromide

1-chlorododecane

Refernces

• 1、 Bensoam et al.. "-". . p. 353. Retrieved 1979.
• 2、 Brioche, Julien,Vincent, émilie. "Synthesis of Alkyl Fluorides by Silver-Catalyzed Radical Decarboxylative Fluorination of Cesium Oxalates". . p. 2421 - 2430. Retrieved 2021/06/25.
• 3、 Xu, Peng,Wang, Feng,Fan, Guilan,Xu, Xiufang,Tang, Pingping. "Hypervalent Iodine(III)-Mediated Oxidative Fluorination of Alkylsilanes by Fluoride Ions". . p. 1101 - 1104. Retrieved 2017/01/18.