1-Bromo-10,12-pentacosadiyne

Base Information

• Chemical Name: 1-Bromo-10,12-pentacosadiyne
• CAS No.: 94598-32-0
• Molecular Formula: C₂₅H₄₃Br
• Molecular Weight: 423.52
• Hs Code.: 2903399090
• DSSTox Substance ID: DTXSID00567502
• Nikkaji Number: J208.150D
• Wikidata: Q82453402
• Mol file: 94598-32-0.mol

Synonyms:1-Bromo-10,12-pentacosadiyne;94598-32-0;1-bromopentacosa-10,12-diyne;SCHEMBL93903;10,12-Pentacosadiynyl Bromide;DTXSID00567502;NUDHYRYEPCJLCL-UHFFFAOYSA-N;MFCD00059029;AKOS015836163;B1340;CS-0363920;D88785

Chemical Property of 1-Bromo-10,12-pentacosadiyne

Chemical Property:

• Refractive Index: 1.49
• PSA: 0.00000
• LogP: 8.81990
• Storage Temp.: Freezer
• XLogP3: 11.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 19
• Exact Mass: 422.25481
• Heavy Atom Count: 26
• Complexity: 397

Purity/Quality:

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

1-Bromopentacosa-10,12-diyne ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC#CC#CCCCCCCCCCBr

Technology Process of 1-Bromo-10,12-pentacosadiyne

There total 2 articles about 1-Bromo-10,12-pentacosadiyne 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: 100.0%

10,12-pentacosadiyne-1-ol (92266-90-5) → 1-bromopentacosa-10,12-diyne (94598-32-0)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In dichloromethane; at 20 ℃; for 0.25h; Inert atmosphere;

DOI:10.1039/c7gc01017f

Reference yield:

10,12-pentacosanodiynoic acid (66990-32-7) → 1-bromopentacosa-10,12-diyne (94598-32-0)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / diethyl ether / 1.5 h / 20 °C / Inert atmosphere

2: triphenylphosphine; carbon tetrabromide / dichloromethane / 0.25 h / 20 °C / Inert atmosphere

With lithium aluminium tetrahydride; carbon tetrabromide; triphenylphosphine; In diethyl ether; dichloromethane;

DOI:10.1039/c7gc01017f

Reference yield:

N-(4-hydroxyphenyl)formamide (1693-39-6) + 1-bromopentacosa-10,12-diyne (94598-32-0) → 4-Pentacosa-10,12-diynyloxy-phenylamine

Guidance literature:

With hydrogenchloride; potassium carbonate; Multistep reaction; 1.) acetone, reflux, 6 h; 2.) ethanol, reflux, 5 h;

upstream raw materials:

10,12-pentacosadiyne-1-ol

10,12-pentacosanodiynoic acid

Refernces

• 1、 Clarisse, Damien,Prakash, Praveen,Geertsen, Valérie,Miserque, Frédéric,Gravel, Edmond,Doris, Eric. "Aqueous 1,3-dipolar cycloadditions promoted by copper nanoparticles in polydiacetylene micelles". supporting information. p. 3112 - 3115. Retrieved 2017/07/24.