3,3-Tetramethyleneglutaric anhydride

• CAS: 5662-95-3
• Catalog Number: ACM5662953
• Category: Polymer/Macromolecule
• Molecular Weight: 168.19
• Molecular Formula: C₉H₁₂O₃
• Synonyms: 3,3-TETRAMETHYLENEGLUTARIC ANHYDRIDE;1,1-CYCLOPENTANEDIACETIC ACID ANHYDRIDE;1,1-CYCLOPENTANEDIACETIC ANHYDRIDE;8-OXASPIRO[4.5]-7,9-DECANEDIONE;8-OXASPIRO[4.5]DECANE-7,9-DIONE;Cyclopentane-1,1-diacetic anhydride;beta,beta-Tetramethyleneglutaric anhydride
• IUPAC Name: 8-oxaspiro[4.5]decane-7,9-dione
• Canonical SMILES: C1CCC2(C1)CC(=O)OC(=O)C2
• InChI Key: GFWLMILMVMCJDI-UHFFFAOYSA-N
• Boiling Point: 186ºC (15 mmHg),322.6ºC at 760 mmHg
• Melting Point: 64-66ºC
• Flash Point: 154.5ºC
• Density: 1.19 g/cm³
• Appearance: white glistening crystals
• EC Number: 227-116-6
• Exact Mass: 168.07900
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Safety Description: S24/25
• Stability: Stable under normal temperatures and pressures.
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 3,3-Tetramethyleneglutaric anhydride?

The molecular formula of 3,3-Tetramethyleneglutaric anhydride is C9H12O3.

What is the molecular weight of 3,3-Tetramethyleneglutaric anhydride?

The molecular weight of 3,3-Tetramethyleneglutaric anhydride is 168.19 g/mol.

What is the IUPAC name of 3,3-Tetramethyleneglutaric anhydride?

The IUPAC name of 3,3-Tetramethyleneglutaric anhydride is 8-oxaspiro[4.5]decane-7,9-dione.

What is the InChIKey of 3,3-Tetramethyleneglutaric anhydride?

The InChIKey of 3,3-Tetramethyleneglutaric anhydride is GFWLMILMVMCJDI-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 3,3-Tetramethyleneglutaric anhydride have?

3,3-Tetramethyleneglutaric anhydride has 0 hydrogen bond donor counts.

What is the topological polar surface area of 3,3-Tetramethyleneglutaric anhydride?

The topological polar surface area of 3,3-Tetramethyleneglutaric anhydride is 43.4Ų.

How many heavy atoms are present in 3,3-Tetramethyleneglutaric anhydride?

There are 12 heavy atoms present in 3,3-Tetramethyleneglutaric anhydride.

Is 3,3-Tetramethyleneglutaric anhydride a canonicalized compound?

Yes, 3,3-Tetramethyleneglutaric anhydride is a canonicalized compound.

What is the CAS number of 3,3-Tetramethyleneglutaric anhydride?

The CAS number of 3,3-Tetramethyleneglutaric anhydride is 5662-95-3.

How many rotatable bond counts does 3,3-Tetramethyleneglutaric anhydride have?

3,3-Tetramethyleneglutaric anhydride has 0 rotatable bond counts.

Synthetic Use

Upstream Synthesis Route 1

• 16713-66-9

• 5662-95-3

Reference: [1]Kon; Thorpe
[Journal of the Chemical Society, 1919, vol. 115, p. 702]
[2]Location in patent: scheme or table
Sakakura, Akira; Ohkubo, Takuro; Yamashita, Risa; Akakura, Matsujiro; Ishihara, Kazuaki
[Organic Letters, 2011, vol. 13, # 5, p. 892 - 895]
[3]Popović-Djordjević, Jelena B.; Klaus, Anita S.; Žižak, Željko S.; Matić, Ivana Z.; Drakulić, Branko J.
[Journal of Enzyme Inhibition and Medicinal Chemistry, 2016, vol. 31, # 6, p. 915 - 923]

Downstream Synthesis Route 1

• 5662-95-3

• 1075-89-4

Reference: [1] Chemical and Pharmaceutical Bulletin, 1991, vol. 39, # 9, p. 2288 - 2300

Downstream Synthesis Route 2

• 5662-95-3
• 33386-20-8

• 36505-84-7

Reference: [1]Yevich, J. P.; Temple, D. L.; New, J. S.; Taylor, Duncan P.; Riblet, L. A.
[Journal of Medicinal Chemistry, 1983, vol. 26, # 2, p. 194 - 203]

Downstream Synthesis Route 3

• 5662-95-3

• 1075-89-4

Reference: [1]Chemical and Pharmaceutical Bulletin,1991,vol. 39,p. 2288 - 2300

* For details of the synthesis route, please refer to the original source to ensure accuracy.