2-Bromoundecane

Base Information

• Chemical Name: 2-Bromoundecane
• CAS No.: 39563-54-7
• Molecular Formula: C11H23 Br
• Molecular Weight: 235.208
• Hs Code.: 2903399090
• European Community (EC) Number: 254-514-7
• NSC Number: 84175
• DSSTox Substance ID: DTXSID901317077
• Nikkaji Number: J261.384K
• Mol file: 39563-54-7.mol

Synonyms:2-Bromoundecane;39563-54-7;EINECS 254-514-7;Undecane, 2-bromo-;2-bromo-undecane;NSC84175;SCHEMBL5878979;DTXSID901317077;NSC 84175;NSC-84175;AKOS012779080

Chemical Property of 2-Bromoundecane

Chemical Property:

• Vapor Pressure: 0.0305mmHg at 25°C
• Boiling Point: 252.6°Cat760mmHg
• Flash Point: 77.3°C
• PSA: 0.00000
• Density: 1.051g/cm³
• LogP: 4.91050
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 234.09831
• Heavy Atom Count: 12
• Complexity: 81.1

Purity/Quality:

99% ^*data from raw suppliers

2-BROMOUNDECANE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(C)Br

Technology Process of 2-Bromoundecane

There total 12 articles about 2-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: 95.0%

1,10-dibromoundecane (74036-98-9) → 2-bromo-n-undecane (39563-54-7)

Guidance literature:

With sodium tetrahydroborate; cetyltributylphosphonium bromide; In water; toluene; at 18 ℃; for 6h; Product distribution;

DOI:10.1021/jo00332a030

Reference yield: 86.0%

undecan-2-ol (1653-30-1,113666-64-1) → 2-bromo-n-undecane (39563-54-7)

Guidance literature:

With dibromotriphenylphosphorane; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/ja304068t

Reference yield: 75.0%

2,3-dimethyl-2-(1-methoxy-2-methylundecyl)peroxybut-3-ene (286408-72-8) → 2-bromo-n-undecane (39563-54-7)

Guidance literature:

With triethyl borane; Bromotrichloromethane; oxygen; In hexane; chloroform; at 20 ℃;

DOI:10.1021/jo9918495

upstream raw materials:

undecan-2-ol

1-undecene

2-methaneseleninyl-undecane

(undecane-2-seleninyl)-benzene

Downstream raw materials:

(1-methyl-decyl)-malonic acid diethyl ester

2--ethanthioschwefelsaeure

decane

n-Undecane

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