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CAS No.: | 1075-89-4 |
---|---|
Name: | 3,3-Tetramethyleneglutarimide |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C9H13NO2 |
Molecular Weight: | 167.208 |
Synonyms: | 1,1-Cyclopentanediacetimide(6CI,7CI,8CI);8-Azaspiro[4.5]decane-7,9-dione;3-Spirocyclopentaneglutarimide;4,4-Tetramethyleneglutarimide;NSC 400092;b-Spirocyclopentaneglutarimide; |
EINECS: | 427-770-4 |
Density: | 1.17 g/cm3 |
Melting Point: | 153-155 °C |
Boiling Point: | 350.7 °C at 760 mmHg |
Flash Point: | 162.6 °C |
Appearance: | white to off-white crystalline powder |
Hazard Symbols: | T+ |
Risk Codes: | 28 |
Safety: | 36/37/39-45 |
PSA: | 46.17000 |
LogP: | 1.31220 |
Conditions | Yield |
---|---|
With ammonium hydroxide In tetrahydrofuran at 190℃; | 92% |
tetramethylene glutarimide
tetramethylene glutarimide
Conditions | Yield |
---|---|
ueber den Schmelzpunkt; |
tetramethylene glutarimide
propargyl bromide
8-Propargyl-8-azaspiro<4.5>decane-7,9-dione
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 10h; Heating; | 100% |
With potassium carbonate In acetone Heating; | 100% |
1,4-dibromo-butane
N-(2-pyridinyl)piperazine
tetramethylene glutarimide
BUSPIRONE
Conditions | Yield |
---|---|
With potassium carbonate; benzyltriethylammonium bromide Product distribution; 1.) xylene, reflux, 3 h, 2.) reflux, 5 h; other imides and catalysts, variation of reaction time, also in toluene; also 1-(2-quinolinyl)piperazine; | 97% |
With potassium carbonate; benzyltriethylammonium bromide 1.) xylene, reflux, 3 h, 2.) reflux, 5 h; Yield given. Multistep reaction; |
4-chlorobutanal dimethyl acetal
tetramethylene glutarimide
8-(4,4-dimethoxybutyl)-8-azaspiro[4.5]decane-7,9-dione
Conditions | Yield |
---|---|
With tetrabutylammomium bromide; potassium carbonate In dimethyl sulfoxide at 80℃; for 4h; | 96% |
tetramethylene glutarimide
benzyl bromide
8-benzyl-8-azaspiro[4.5]decane-7,9-dione
Conditions | Yield |
---|---|
Stage #1: tetramethylene glutarimide With potassium carbonate for 1h; Stage #2: benzyl bromide In acetone for 2h; Reflux; Inert atmosphere; | 96% |
di-tert-butyl dicarbonate
tetramethylene glutarimide
8-(tert-butoxycarbonyl)-7,9-dioxo-8-azaspiro[4.5]decane
Conditions | Yield |
---|---|
With dmap In acetonitrile at 20℃; for 15h; | 95% |
Conditions | Yield |
---|---|
In tetrahydrofuran | 94% |
Conditions | Yield |
---|---|
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 15h; Schlenk technique; Inert atmosphere; | 94% |
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The 3,3-Tetramethyleneglutarimide, with the CAS registry number 1075-89-4, is also known as 8-Azaspiro[4,5]decane-7,9-dione. It belongs to the product categories of Building Blocks. Its EINECS registry number is 427-770-4. This chemical's molecular formula is C9H13NO2 and molecular weight is 167.21. Its IUPAC name is called 8-azaspiro[4.5]decane-7,9-dione. The product should be sealed and stored in cool and dry place.
Physical properties of 3,3-Tetramethyleneglutarimide: (1)ACD/LogP: 1.47; (2)ACD/LogD (pH 5.5): 1.47; (3)ACD/LogD (pH 7.4): 1.47; (4)ACD/BCF (pH 5.5): 7.76; (5)ACD/BCF (pH 7.4): 7.76; (6)ACD/KOC (pH 5.5): 150.92; (7)ACD/KOC (pH 7.4): 150.91; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.523; (11)Molar Refractivity: 43.52 cm3; (12)Molar Volume: 142.4 cm3; (13)Surface Tension: 43.7 dyne/cm; (14)Density: 1.17 g/cm3; (15)Flash Point: 162.6 °C; (16)Enthalpy of Vaporization: 59.53 kJ/mol; (17)Boiling Point: 350.7 °C at 760 mmHg; (18)Vapour Pressure: 4.31E-05 mmHg at 25°C.
Uses of 3,3-Tetramethyleneglutarimide: it can be used to produce 8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione at temperature of 60 °C. This reaction will need reagent KI, K2CO3 and solvent acetonitrile with reaction time of 6 hours. The yield is about 69%.
When you are using this chemical, please be cautious about it as the following:
This chemical that at very low levels can cause damage to health. It is very toxic if swallowed. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC2(C1)CC(=O)NC(=O)C2
(2)InChI: InChI=1S/C9H13NO2/c11-7-5-9(3-1-2-4-9)6-8(12)10-7/h1-6H2,(H,10,11,12)
(3)InChIKey: YRTHJMQKDCXPAY-UHFFFAOYSA-N