Oxecane-2,10-dione

Base Information

• Chemical Name: Oxecane-2,10-dione
• CAS No.: 4196-95-6
• Molecular Formula: C9H14O3
• Molecular Weight: 170.208
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID20430744
• Nikkaji Number: J1.402.495F
• Wikidata: Q82244439
• Mol file: 4196-95-6.mol

Synonyms:Oxecane-2,10-dione;4196-95-6;2,10-Oxecanedione;azelaic anhydride;AZELAICANHYDRIDE;SCHEMBL352523;DTXSID20430744;MFCD28362904;BS-53288;CS-0433509;F16497;A872965

Chemical Property of Oxecane-2,10-dione

Chemical Property:

• Boiling Point: 306.8±11.0 °C(Predicted)
• PSA: 43.37000
• Density: 1.054±0.06 g/cm3(Predicted)
• LogP: 1.80050
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 170.094294304
• Heavy Atom Count: 12
• Complexity: 157

Purity/Quality:

99%, ^*data from raw suppliers

Oxecane-2,10-dione 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCC(=O)OC(=O)CCC1

Technology Process of Oxecane-2,10-dione

There total 2 articles about Oxecane-2,10-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: 77.0%

azelaic acid (123-99-9,26776-28-3) → azeleic acid anhydride (4196-95-6)

Guidance literature:

With acetic anhydride; for 2h; Reflux;

DOI:10.1055/s-0033-1340078

Reference yield:

→ azeleic acid anhydride (4196-95-6)

Guidance literature:

With azelaoyl chloride; at 160 - 170 ℃;

Reference yield: 85.0%

7-chloro-2,3,4,5-tetrahydro-1H-azepine-1-carbaldehyde (24740-68-9) + azeleic acid anhydride (4196-95-6) → C14H23NO

Guidance literature:

In toluene; at 100 ℃; for 2h; chemoselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1039/c8nj06539j

upstream raw materials:

azelaic acid

Downstream raw materials:

9-oxo-9-phenyl-nonanoic acid

Methyl ethyl nonanedioate

azelaic acid

8-phenylcarbamoyl-octanoic acid

Refernces

• 1、 Li, Jia,Lu, Wei,Lu, Yingxin,Shao, Yingying,Su, Mingbo,Sun, Danwen,Xiao, Donghuai,Zhou, Yubo,Zhu, Shulei. "Design, synthesis, and biological evaluation of HDAC degraders with CRBN E3 ligase ligands". . . Retrieved 2021/12/02.
• 2、 Sun, Mingjiang,Deng, Yijun,Batyreva, Eugenia,Sha, Wei,Salomon, Robert G.. "Novel bioactive phospholipids: Practical total syntheses of products from the oxidation of arachidonic and linoleic esters of 2-lysophosphatidylcholine". . p. 3575 - 3584. Retrieved 2007/10/03.