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1,4,10-Trioxa-7,13-diazacyclopentadecane

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Name

1,4,10-Trioxa-7,13-diazacyclopentadecane

EINECS 250-530-3
CAS No. 31249-95-3 Density 0.943 g/cm3
PSA 51.75000 LogP -0.11340
Solubility Melting Point 88-91 ºC
Formula C10H22N2O3 Boiling Point 355.9 °C at 760 mmHg
Molecular Weight 218.296 Flash Point 144.5 °C
Transport Information N/A Appearance transparent to off-white flakes
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 31249-95-3 (1,4,10-Trioxa-7,13-diazacyclopentadecane) Hazard Symbols IrritantXi
Synonyms

4,7,13-Trioxa-1,10-diazacyclopentadecane;

Article Data 15

1,4,10-Trioxa-7,13-diazacyclopentadecane Specification

This product is an organic compound with the formula C10H22N2O3. The IUPAC name of this chemical is 1,4,10-Trioxa-7,13-diazacyclopentadecane. With the CAS registry number 31249-95-3, it is also named as 4,7,13-Trioxa-1,10-diazacyclopentadecane. It belongs to the product categories of FDG Chemicals; Azacrown Ethers; Crown Ethers; Functional Materials; Macrocycles for Host-Guest Chemistry. Its EINECS registry number is 250-530-3. In addition, the molecular weight is 218.2933.

Physical properties about this chemical are: (1)ACD/LogP: -2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.39; (4)ACD/LogD (pH 7.4): -4.88; (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: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.17 Å2; (13)Index of Refraction: 1.412; (14)Molar Refractivity: 57.62 cm3; (15)Molar Volume: 231.2 cm3; (16)Polarizability: 22.84×10-24 cm3; (17)Surface Tension: 29.6 dyne/cm; (18)Density: 0.943 g/cm3; (19)Flash Point: 144.5 °C; (20)Enthalpy of Vaporization: 60.11 kJ/mol; (21)Boiling Point: 355.9 °C at 760 mmHg; (22)Vapour Pressure: 3.04E-05 mmHg at 25 °C.

Preparation of 1,4,10-Trioxa-7,13-diazacyclopentadecane: this chemical can be prepared by 1,4,10-Trioxa-7,13-diaza-cyclopentadecane-8,12-dione. This reaction needs reagent Lithium aluminium hydride (LAH) and solvent Tetrahydrofuran at the condition of heating. In addition, the reaction time is 24 hours and the yield is 85%.

1,4,10-Trioxa-7,13-diazacyclopentadecane can be prepared by 1,4,10-Trioxa-7,13-diaza-cyclopentadecane-8,12-dione

Use of 1,4,10-Trioxa-7,13-diazacyclopentadecane: it is used to produce other chemicals. For example, it is used to produce 7,13-Bis-thiazol-2-yl-1,4,10-trioxa-7,13-diaza-cyclopentadecane. The reaction occurs with reagent NEt3 and solvent Tetrahydrofuran. This reaction will occur at temperature of 100 °C for 5 days. The yield is 89%.

1,4,10-Trioxa-7,13-diazacyclopentadecane is used to produce 7,13-Bis-thiazol-2-yl-1,4,10-trioxa-7,13-diaza-cyclopentadecane

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O1CCNCCOCCNCCOCC1
(2) InChI: InChI=1/C10H22N2O3/c1-5-13-6-2-12-4-8-15-10-9-14-7-3-11-1/h11-12H,1-10H2
(3) InChIKey: STHIZMRUXPMSCW-UHFFFAOYAB

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