3-Oxaspiro[5.5]undecane-2,4-dione

Base Information

• Chemical Name: 3-Oxaspiro[5.5]undecane-2,4-dione
• CAS No.: 1010-26-0
• Molecular Formula: C10H14O3
• Molecular Weight: 182.219
• Hs Code.: 29172090
• European Community (EC) Number: 691-481-1
• DSSTox Substance ID: DTXSID20370196
• Wikidata: Q72459599
• Mol file: 1010-26-0.mol

Synonyms:1010-26-0;1,1-Cyclohexanediacetic anhydride;3-oxaspiro[5.5]undecane-2,4-dione;3,3-Pentamethyleneglutaric Anhydride;1,1-Cyclohexanediaceticacidanhydride;1,1-Cyclohexane diacetic anhydride;3-Oxaspiro[5,5]undecane-2,4-dione;1,1-cyclohexanediacetic acid anhydride;1,1-Cyclohexane diacetic acid anhydride;SCHEMBL395804;DTXSID20370196;XNDSIASQMRYFSW-UHFFFAOYSA-N;1,1-Cyclohexane-diacetic anhydride;2,2-cyclohexane diacetic anhydride;MFCD00040292;1,1-Cyclohexanediacetic acidanhydride;3-Oxaspiro[5.5]-2,4-undecanedione;AKOS001075370;FS-4141;NCGC00329673-01;3-Oxaspiro[5,5]undecane-2,4-dione, 98%;C2533;FT-0606080;EN300-12674;D95231;AB01107090-03;A800317;AN-829/40524982;J-000311;4-AMINO-2-HYDROXYBENZOICACIDSODIUMSALTDIHYDRATE;Z85926253

Chemical Property of 3-Oxaspiro[5.5]undecane-2,4-dione

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder or chunks
• Vapor Pressure: 0.000115mmHg at 25°C
• Melting Point: 67-70 °C(lit.)
• Refractive Index: 1.499
• Boiling Point: 336 °C at 760 mmHg
• Flash Point: 159.8 °C
• PSA: 43.37000
• Density: 1.15 g/cm³
• LogP: 1.80050
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 182.094294304
• Heavy Atom Count: 13
• Complexity: 221

Purity/Quality:

99% ^*data from raw suppliers

1,1-Cyclohexanediacetic Anhydride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC2(CC1)CC(=O)OC(=O)C2
• Uses: 3-Oxaspiro[5,5]undecane-2,4-dione may be used to synthesize [1-(2-{[4-chloro-2-(methoxycarbonyl)phenyl]amino}-2-oxoethyl)cyclohexyl]acetic acid.

Technology Process of 3-Oxaspiro[5.5]undecane-2,4-dione

There total 3 articles about 3-Oxaspiro[5.5]undecane-2,4-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:

1,1-cyclohexanediacetic acid (4355-11-7) → 1,1-cyclohexanediacetic acid anhydride (1010-26-0)

Guidance literature:

With acetic anhydride;

Reference yield:

2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile (4355-15-1) → 1,1-cyclohexanediacetic acid anhydride (1010-26-0)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid, HCl, H₂O / 84 h / Heating

2: acetic anhydride / 4 h / Heating

With hydrogenchloride; water; acetic anhydride; acetic acid;

DOI:10.1021/jm00173a010

Reference yield:

→ 1,1-cyclohexanediacetic acid anhydride (1010-26-0)

Guidance literature:

upstream raw materials:

1,1-cyclohexanediacetic acid

2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile

Downstream raw materials:

3-oxaspiro[5.5]undecan-2-one

{1-[2-(2,5-Dimethyl-thiophen-3-yl)-2-oxo-ethyl]-cyclohexyl}-acetic acid

3,3-cyclohexane-5-(5-methyl-2-thienyl)-5-oxopentanoic acid

3-azaspiro[5.5]undecane-2,4-dione

Refernces

• 1、 -. "Preparation method and application of 1-1 - cyclohexane - diacetic acid monoamide". Paragraph 0094-0139. . Retrieved 2021/09/29.
• 2、 -. "A process for synthesis of gabapentin". Paragraph 0032. . Retrieved 2016/11/24.