Spiro[2.5]octan-6-one

Base Information

• Chemical Name: Spiro[2.5]octan-6-one
• CAS No.: 15811-21-9
• Molecular Formula: C8H12O
• Molecular Weight: 124.183
• Hs Code.: 2914299000
• European Community (EC) Number: 822-465-6
• DSSTox Substance ID: DTXSID40598451
• Nikkaji Number: J1.505.285F
• Wikidata: Q82494213
• Mol file: 15811-21-9.mol

Synonyms:Spiro[2.5]octan-6-one;15811-21-9;MFCD09868097;Spiro [2.5]octan-6-one;Spiro-[2.5]octan-6-one;SCHEMBL307414;DTXSID40598451;PXIGSUWVCSOFMF-UHFFFAOYSA-N;AKOS006314211;AS-39575;SY105833;DB-064201;CS-0038018;EN300-114094;A850086;J-524288;F8888-2702;Z1198235438

Chemical Property of Spiro[2.5]octan-6-one

Chemical Property:

• Boiling Point: 194.2±8.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.02±0.1 g/cm3(Predicted)
• LogP: 1.90970
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 124.088815002
• Heavy Atom Count: 9
• Complexity: 133

Purity/Quality:

99.3% ^*data from raw suppliers

spiro[2.5]octan-6-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2(CCC1=O)CC2
• Uses: Spiro[2.5]octan-6-one can be used as P2X3 inhibitors to treat P2X3 receptor dysfunction diseases.

Technology Process of Spiro[2.5]octan-6-one

There total 8 articles about Spiro[2.5]octan-6-one 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: 90.0%

spiro[2.5]octane (185-65-9) → spiro[2.5]octan-6-one (15811-21-9) + spiro[2.5]octan-5-one (25308-67-2) + spiro[2.5]octan-4-one (2205-98-3)

Guidance literature:

With methyltrifluoromethyldioxirane; In dichloromethane; at 0 ℃; for 0.583333h;

DOI:10.1021/jo034768o

Reference yield: 87.0%

7,10-dioxadispiro[2.2.46.23]dodecane (52875-47-5) → spiro[2.5]octan-6-one (15811-21-9)

Guidance literature:

With water; trifluoroacetic acid; In tetrahydrofuran; at 20 ℃; for 2h;

Reference yield: 48.0%

8-methylene-1,4-dioxaspiro[4.5]decane (51656-90-7) + diiodomethane (75-11-6) → spiro[2.5]octan-6-one (15811-21-9)

Guidance literature:

8-methylene-1,4-dioxaspiro[4.5]decane; diiodomethane; With copper; zinc; In diethyl ether; for 29h; Heating;

With hydrogenchloride; at 20 ℃; for 1h; Further stages.;

DOI:10.1021/jo001292p

upstream raw materials:

8-methylene-1,4-dioxaspiro[4.5]decane

diiodomethane

spiro[2.5]octane

cyclohexanedione monoethylene ketal

Downstream raw materials:

5-dimethylaminomethyl-6-(2-fluoro-5-hydroxy-phenyl)-spiro[2.5]octan-6-ol

C₂₉H₃₂N₂O₅S

C₁₅H₁₆N₂O₃

C₂₄H₂₃NO₄

Refernces

• 1、 -. "N-(PYRIDIN-2-YLSULFONYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF A CFTR MEDIATED DISEASE". . . Retrieved 2020/07/14.
• 2、 -. "CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS". . . Retrieved 2014/10/03.