Tetracosane-12,13-dione

Base Information

• Chemical Name: Tetracosane-12,13-dione
• CAS No.: 61136-78-5
• Molecular Formula: C24H46O2
• Molecular Weight: 366.628
• DSSTox Substance ID: DTXSID70503432
• Wikidata: Q82357240
• Mol file: 61136-78-5.mol

Synonyms:TETRACOSANE-12,13-DIONE;bis-dodecanoyl;61136-78-5;SCHEMBL2566019;DTXSID70503432

Chemical Property of Tetracosane-12,13-dione

Chemical Property:

• XLogP3: 9.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 21
• Exact Mass: 366.349780706
• Heavy Atom Count: 26
• Complexity: 290

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)C(=O)CCCCCCCCCCC

Technology Process of Tetracosane-12,13-dione

There total 12 articles about Tetracosane-12,13-dione 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: 91.0%

13-hydroxytetracosan-12-one (6537-38-8) → tetracosane-12,13-dione (61136-78-5)

Guidance literature:

With oxygen; vanadium(V) oxychloride; In acetonitrile; at 20 - 65 ℃; for 21h;

DOI:10.1039/c4cc00654b

Reference yield: 56.0%

S-(2-pyridyl) dodecanethioate (75560-84-8) → 13-hydroxytetracosan-12-one (6537-38-8) + tetracosane-12,13-dione (61136-78-5)

Guidance literature:

With hydrogenchloride; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; In N,N-dimethyl-formamide; toluene; at 40 ℃; for 1h;

DOI:10.1246/cl.1980.905

Reference yield:

methyl n-dodecanoate (111-82-0) → tetracosane-12,13-dione (61136-78-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium; xylene

2: ICl; glacial acetic acid; chloroform

With chloroform; sodium; Iodine monochloride; acetic acid; xylene;

upstream raw materials:

13-hydroxytetracosan-12-one

S-(2-benzothiazolyl) dodecanethioate

S-(2-pyridyl) dodecanethioate

chloroform

Downstream raw materials:

¹³C-4,5-diundecyl-1H-imidazole

1,3-dibenzyl-4,5-diundecylimidazol-3-ium bromide