Spiro[2.5]octan-4-one

Base Information

• Chemical Name: Spiro[2.5]octan-4-one
• CAS No.: 2205-98-3
• Molecular Formula: C₈H₁₂O
• Molecular Weight: 124.183
• European Community (EC) Number: 836-438-1
• Nikkaji Number: J1.633.010H
• Mol file: 2205-98-3.mol

Synonyms:spiro[2.5]octan-4-one;2205-98-3;spiro[2.5]octan-8-one;MFCD21877579;spiro[2.5]octane-4-one;spiro[2.5]octan-4-on;SCHEMBL3389316;HBVHIUUQNKYWFQ-UHFFFAOYSA-N;CAA20598;SB35499;SY264351;CS-0058199;EN300-84999

Chemical Property of Spiro[2.5]octan-4-one

Chemical Property:

• PSA: 17.07000
• LogP: 1.90970
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 124.088815002
• Heavy Atom Count: 9
• Complexity: 145

Purity/Quality:

97% ^*data from raw suppliers

Spiro[2.5]octan-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC2(CC2)C(=O)C1

Technology Process of Spiro[2.5]octan-4-one

There total 16 articles about Spiro[2.5]octan-4-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: 100.0%

Oxo-phenyl-acetic acid spiro[2.5]oct-4-yl ester (143618-68-2) → spiro[2.5]octan-4-one (2205-98-3)

Guidance literature:

Irradiation;

DOI:10.1021/ja00048a057

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: 90.0%

spiro[2.5]octane (185-65-9) → spiro[2.5]octan-4-one (2205-98-3)

Guidance literature:

With Oxone; 1,1,1-trifluoro-2-propanone; sodium hydrogencarbonate; In water; at -70 - 0 ℃; for 0.583333h;

DOI:10.1002/ejoc.201701671

upstream raw materials:

spiro<2.5>octan-4-ol

dimethylsulfoxonium methylide

2-Chlorocyclohexanone

Spiro<2.5>dec-4-en-4-yl-trifluormethansulfonat

Downstream raw materials:

2-ethylcyclohexanone

5-(4-Methoxy-benzyl)-spiro[2.5]octan-4-one

(4R,5R)-5-(4-Methoxy-benzyl)-spiro[2.5]octan-4-ol

cis-5-(4-methoxybenzyl)-spiro<5,2>-octan-4-ol