1-Bromoundecane

Base Information

• Chemical Name: 1-Bromoundecane
• CAS No.: 693-67-4
• Deprecated CAS: 2154467-96-4
• Molecular Formula: C11H23 Br
• Molecular Weight: 235.208
• Hs Code.: 2903399090
• European Community (EC) Number: 211-757-3
• UNII: LJV3NK56M6
• DSSTox Substance ID: DTXSID2049349
• Nikkaji Number: J538J
• Wikidata: Q72513664
• ChEMBL ID: CHEMBL3188046
• Mol file: 693-67-4.mol

Synonyms:1-BROMOUNDECANE;693-67-4;Undecyl bromide;Undecane, 1-bromo-;Hendecyl Bromide;1-bromo-undecane;n-Undecyl-1-bromide;1-BroMoundecane--d3;1-BroMoundecane--d4;DTXSID2049349;EINECS 211-757-3;n-Undecyl bromide;1219805-63-6;1-BROMO UNDECANE;undecylbromide;C11H23Br;1-bromanylundecane;1-Bromoundecane, 98%;LJV3NK56M6;SCHEMBL585266;CHEMBL3188046;DTXCID9029308;Tox21_202865;BBL010940;MFCD00000223;STK802035;AKOS005622681;NCGC00260411-01;AS-56683;BP-31077;CAS-693-67-4;1-Bromoundecane, purum, >=97.0% (GC);B0934;CS-0085449;FT-0607551;EN300-36202;A836453

Chemical Property of 1-Bromoundecane

Chemical Property:

• Appearance/Colour: clear, colorless to pale yellow liquid.
• Vapor Pressure: 0.0213mmHg at 25°C
• Melting Point: ?9 °C(lit.)
• Refractive Index: n20/D 1.457(lit.)
• Boiling Point: 259.2 °C at 760 mmHg
• Flash Point: 105 °C
• PSA: 0.00000
• Density: 1.054 g/mL at 25 °C(lit.)
• LogP: 4.91210
• Storage Temp.: Store below +30°C.
• Water Solubility.: Insoluble in water.
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 234.09831
• Heavy Atom Count: 12
• Complexity: 71.4

Purity/Quality:

98% ^*data from raw suppliers

1-Bromoundecane ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: CCCCCCCCCCCBr
• Uses: 1-Bromoundecane is used in the preparation of Grignard reagent by reacting with Mg in THF (tetrahydrofuran). It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, dyes and agrochemicals.

Technology Process of 1-Bromoundecane

There total 30 articles about 1-Bromoundecane 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: 89.0%

1-undecene (821-95-4) → bromoundecane (693-67-4)

Guidance literature:

With 2,2,4-trimethylpentane; tetradecafluorohexane; bromine; at 20 ℃; for 2h; Irradiation;

DOI:10.1055/s-0030-1258482

Reference yield: 83.0%

11-Bromoundecyl tosylate (66605-81-0) → bromoundecane (693-67-4)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1021/jo01300a071

Reference yield: 81.0%

lauric acid (143-07-7) → bromoundecane (693-67-4) + 1-chloroundecane (2473-03-2)

Guidance literature:

With tetra-N-butylammonium tribromide; 1,3-dichloro-[1,3,5]triazinane-2,4,6-trione; In dichloromethane; at 20 ℃; for 1h; Time; Photolysis;

upstream raw materials:

undecyl alcohol

1-undecene

lauric acid

11-Bromoundecyl tosylate

Downstream raw materials:

1-undecyl-pyridinium; bromide

octadec-6-yne

undecyl alcohol

tridec-1-yne

Refernces

• 1、 -. "Method for decarboxylation and in-situ methylation of alkyl active carboxylic ester". Paragraph 0047-0054; 0159-0165; 0203. . Retrieved 2020/06/20.
• 2、 -. "PROCESS FOR THE PREPARATION OF ORGANIC HALIDES". Paragraph 00162. . Retrieved 2017/08/01.