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CAS No.: | 66943-05-3 |
---|---|
Name: | Aza-15-crown-5 |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C10H21NO4 |
Molecular Weight: | 219.281 |
Synonyms: | 1-Aza-4,7,10,13-tetraoxacyclopentadecane;1-Aza-15-crown-5;13-Aza-15-crown-5;Aza-15-crown-5;Monoaza-15-crown-5;1,4,7,10-Tetraoxa-15-azacyclopentadecane; |
EINECS: | 266-523-3 |
Density: | 0.968g/cm3 |
Melting Point: | 35-37 °C(lit.) |
Boiling Point: | 347 °C at 760 mmHg |
Flash Point: | 140.5 °C |
Solubility: | soluble in water |
Appearance: | light brown crystalline mass |
Hazard Symbols: | Xn; Xi |
Risk Codes: | 36/37/38-20/22 |
Safety: | 26-36-37/39 |
PSA: | 48.95000 |
LogP: | -0.01520 |
1-benzyl-1-aza-15-crown-5
1,4,7,10-tetraoxa-15-azacyclopentadecane
Conditions | Yield |
---|---|
With hydrogenchloride; hydrogen; palladium on activated charcoal | 98% |
With hydrogen; palladium on activated charcoal In ethanol at 25℃; under 3102.9 Torr; for 24h; | 98% |
With hydrogen; palladium on activated charcoal In ethanol under 5171.5 Torr; for 6h; | 89% |
13-(p-Tolylsulfonyl)-1,4,7,10-tetraoxa-13-azacyclopentadecan
1,4,7,10-tetraoxa-15-azacyclopentadecane
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride | 83% |
With lithium aluminium tetrahydride In tetrahydrofuran Heating; |
2,2'-iminobis[ethanol]
triethylene glycol di-(p-toluenesulfonate)
1,4,7,10-tetraoxa-15-azacyclopentadecane
Conditions | Yield |
---|---|
With sodium t-butanolate In 1,4-dioxane; tert-butyl alcohol at 40℃; for 2h; | 59% |
With sodium t-butanolate In 1,4-dioxane at 40℃; for 1h; | 45% |
With sodium In tert-butyl alcohol at 40℃; | 35% |
With sodium t-butanolate In 1,4-dioxane; tert-butyl alcohol at 20 - 40℃; for 3h; | 25% |
With sodium t-butanolate In 1,4-dioxane; tert-butyl alcohol at 40℃; for 4h; | 3.19 g |
2,2'-iminobis[ethanol]
1,4,7,10-tetraoxa-15-azacyclopentadecane
Conditions | Yield |
---|---|
With sodium; tert-butyl alcohol at 40℃; for 19h; Inert atmosphere; Glovebox; | 28% |
1,2-bis(2-chloroethoxy)ethane
2,2'-iminobis[ethanol]
B
1,4,7,10-tetraoxa-15-azacyclopentadecane
Conditions | Yield |
---|---|
With sodium t-butanolate In tert-butyl alcohol at 60℃; for 38h; | A n/a B 12% |
1,4,7,10-Tetraoxa-13-aza-cyclopentadecane-13-carboximidic acid methyl ester
1,4,7,10-tetraoxa-15-azacyclopentadecane
Conditions | Yield |
---|---|
With acetic acid for 24h; Heating; Yield given; |
3,6,12-trioxa-9-azatetradecane-1,14-diol
A
2-[2-(2-morpholin-4-yl-ethoxy)-ethoxy]-ethanol
B
1,4,7,10-tetraoxa-15-azacyclopentadecane
Conditions | Yield |
---|---|
With sodium hydroxide; p-toluenesulfonyl chloride In 1,4-dioxane at 60℃; for 5h; Yields of byproduct given; | A n/a B 50 % Spectr. |
With sodium hydroxide; p-toluenesulfonyl chloride In 1,4-dioxane at 20℃; for 5h; Product distribution; variation of arenesulphonyl chloride, base and temperature; | A 10 % Spectr. B 48 % Spectr. |
1,2-bis(2-chloroethoxy)ethane
2,2'-iminobis[ethanol]
1,4,7,10-tetraoxa-15-azacyclopentadecane
Conditions | Yield |
---|---|
With sodium t-butanolate In tert-butyl alcohol at 60℃; Yield given; |
3,6,9-trioxa-12-azatetradecane-1,14-diol
A
2-{2-[2-(2-Aziridin-1-yl-ethoxy)-ethoxy]-ethoxy}-ethanol
B
1,4,7,10-tetraoxa-15-azacyclopentadecane
Conditions | Yield |
---|---|
With sodium hydroxide; p-toluenesulfonyl chloride In 1,4-dioxane at 60℃; for 5h; Yields of byproduct given; | A n/a B 59 % Spectr. |
13-(4-nitrosophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
1,4,7,10-tetraoxa-15-azacyclopentadecane
Conditions | Yield |
---|---|
With hydrogen sulfite In ethanol at 60 - 70℃; for 0.333333h; Yield given; |
The Aza-15-crown-5, with CAS registry number 66943-05-3, belongs to the following product categories: (1)Azacrown Ethers; (2)Crown Ethers; (3)Macrocycles for Host-Guest Chemistry; (4)Functional Materials. It has the systematic name of 1,4,7,10-tetraoxa-13-azacyclopentadecane. This chemical is a kind of light brown crystalline mass. It should be stored at the temperature of 0-6°C. And the chemical formula of this chemical is C10H21NO4. What's more, its EINECS is 266-523-3.
Physical properties of Aza-15-crown-5: (1)ACD/LogP: -1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.33; (4)ACD/LogD (pH 7.4): -2.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.16 Å2; (13)Index of Refraction: 1.408; (14)Molar Refractivity: 55.88 cm3; (15)Molar Volume: 226.3 cm3; (16)Polarizability: 22.15×10-24cm3; (17)Surface Tension: 30.4 dyne/cm; (18)Density: 0.968 g/cm3; (19)Flash Point: 140.5 °C; (20)Enthalpy of Vaporization: 59.12 kJ/mol; (21)Boiling Point: 347 °C at 760 mmHg; (22)Vapour Pressure: 5.54E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 13-(toluene-4-sulfonyl)-1,4,7,10-tetraoxa-13-aza-cyclopentadecane. This reaction will need reagent LiAlH4. The yield is about 83%.
When you are using this chemical, please be cautious about it as the following:
The Aza-15-crown-5 irritates to eyes, respiratory system and skin. And it is harmful by inhalation and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O1CCNCCOCCOCCOCC1
(2)InChI: InChI=1/C10H21NO4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11H,1-10H2
(3)InChIKey: BJUOQSZSDIHZNP-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C10H21NO4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11H,1-10H2
(5)Std. InChIKey: BJUOQSZSDIHZNP-UHFFFAOYSA-N