Dotriacontane

Base Information

• Chemical Name: Dotriacontane
• CAS No.: 544-85-4
• Molecular Formula: C32H66
• Molecular Weight: 450.876
• Hs Code.: 2901100000
• European Community (EC) Number: 208-881-5
• NSC Number: 6361
• UNII: 7KSV90RN23
• DSSTox Substance ID: DTXSID5052202
• Nikkaji Number: J13.717K
• Wikidata: Q151123
• Metabolomics Workbench ID: 5265
• Mol file: 544-85-4.mol

Synonyms:dotriacontane;n-dotriacontane

Chemical Property of Dotriacontane

Chemical Property:

• Appearance/Colour: white to slightly grey shiny flakes
• Vapor Pressure: <1 mm Hg ( 20 °C)
• Melting Point: 65-70 °C(lit.)
• Refractive Index: 1.4358
• Boiling Point: 467 °C(lit.)
• Flash Point: 323.9°C
• PSA: 0.00000
• Density: 0.809g/cm³
• LogP: 12.72920
• Water Solubility.: Soluble in hot toluene, diethyl ether, benzene and ethanol. Insoluble in water.
• XLogP3: 16.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 29
• Exact Mass: 450.516452105
• Heavy Atom Count: 32
• Complexity: 264

Purity/Quality:

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

Dotriacontane >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Saturated (>C11)
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• Uses: Dotriacontane is used as a solvent medium for crystallization of isotactic polypropylene.

Technology Process of Dotriacontane

There total 25 articles about Dotriacontane 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: 92.0%

1-iodohexadecane (544-77-4) → n-dotriacontane (544-85-4)

Guidance literature:

With indium; In N,N-dimethyl-formamide; for 12h; Heating;

DOI:10.1016/S0040-4039(98)02123-6

Reference yield: 47.0%

1-Chlorohexadecan (4860-03-1) → n-dotriacontane (544-85-4)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; samarium; nickel dichloride; In tetrahydrofuran; for 48h; Inert atmosphere; Reflux;

DOI:10.1002/asia.201601712

Reference yield: 42.0%

1-iodohexadecane (544-77-4) → Hexadecane (544-76-3) + 1-Hexadecene (629-73-2) + n-dotriacontane (544-85-4)

Guidance literature:

With tetrabutylammonium tetrafluoroborate; In N,N-dimethyl-formamide; Electrochemical reaction; Inert atmosphere;

DOI:10.1016/j.tetlet.2008.12.008

upstream raw materials:

dotriaconta-1,7,9,15,17,23,25,31-octayne

1,2-dibromoethyl ethyl ether

hexadecylmagnesium bromide

1-iodohexadecane

Refernces

• 1、 Sonnet,P.E.. "". . p. 3662 - 3663. Retrieved 1968.
• 2、 Huang, Zheng,Rolfe, Eleanor,Carson, Emily C.,Brookhart, Maurice,Goldman, Alan S,El-Khalafy, Sahar H.,Roy MacArthur, Amy H.. "Efficient heterogeneous dual catalyst systems for alkane metathesis". experimental part. p. 125 - 135. Retrieved 2010/06/20.
• 3、 Ranu, Brindaban C.,Dutta, Pinak,Sarkar, Arunkanti. "Indium promoted reductive homocoupling of alkyl and aryl halides". . p. 9557 - 9558. Retrieved 2007/10/03.