Spiro[3.4]octan-2-one

Base Information

• Chemical Name: Spiro[3.4]octan-2-one
• CAS No.: 41463-77-8
• Molecular Formula: C8H12O
• Molecular Weight: 124.183
• Hs Code.: 2914290090
• European Community (EC) Number: 825-838-1
• Nikkaji Number: J1.437.345D
• Mol file: 41463-77-8.mol

Synonyms:Spiro[3.4]octan-2-one;41463-77-8;MFCD19441113;SCHEMBL428515;AKOS017514677;SB13759;BS-42878;SY155353;CS-0185231;FT-0705451;EN300-135776;P18360

Chemical Property of Spiro[3.4]octan-2-one

Chemical Property:

• Boiling Point: 194℃
• Flash Point: 64℃
• PSA: 17.07000
• Density: 1.02
• LogP: 1.90970
• XLogP3: 1.7
• 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%, ^*data from raw suppliers

spiro[3.4]octan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(C1)CC(=O)C2

Technology Process of Spiro[3.4]octan-2-one

There total 3 articles about Spiro[3.4]octan-2-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: 63.0%

1,1-dichlorospiro[3.4]octan-2-one (329187-14-6) → spiro[3.4]octan-2-one (41463-77-8)

Guidance literature:

With zinc; In acetic acid;

DOI:10.1016/S0040-4039(00)01577-X

Reference yield:

methylenecyclopentane (1528-30-9) → spiro[3.4]octan-2-one (41463-77-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / zinc / diethyl ether

2: 63 percent / zinc / acetic acid

With zinc; In diethyl ether; acetic acid;

DOI:10.1016/S0040-4039(00)01577-X

Reference yield:

→ spiro[3.4]octan-2-one (41463-77-8)

Guidance literature:

3,3-Tetramethylenglutarsaeureanhydrid, Photolyse;

DOI:10.1021/ja00786a053

upstream raw materials:

1,1-dichlorospiro[3.4]octan-2-one

methylenecyclopentane

Downstream raw materials:

spiro[4.4]nonan-2-one

C₁₄H₂₀O₂

(S)-3-(chloromethyl)-3-phenylspiro[4.4]nonan-2-one

2-(1-phenylvinyl)spiro[3.4]octan-2-ol

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