1,4,7,10,13-Pentaoxa-16-azacyclooctadecane
- CAS No.
- 33941-15-0
- Chemical Name:
- 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane
- Synonyms
- 1-AZA-18-CROWN-6;AZA-18-CROWN-6;Aza-18-crown-6,98%;1-AZA-18-CROWN 6-ETHER;1-Aza-18-crown-6, ≥98%;1-Aza-18-crown 6-Ether >1-Aza-18-crown-6 >=98.0% (NT);PENTAOXA-16-AZACYCLOOCTADECANE;1,4,7,10,13-Pentaoxa-16-azacyclooctadecane;4,7,10,13,16-Pentaoxa-1-azacyclooctadecane
- CBNumber:
- CB8723167
- Molecular Formula:
- C12H25NO5
- Molecular Weight:
- 263.33
- MDL Number:
- MFCD00075466
- MOL File:
- 33941-15-0.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | 46-49 °C (lit.) |
|---|---|
| Boiling point | 406.57°C (rough estimate) |
| Density | 1.1122 (rough estimate) |
| refractive index | 1.4287 (estimate) |
| Flash point | >230 °F |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| pka | 8.69±0.20(Predicted) |
| form | powder to crystaline |
| color | White to Light yellow to Light orange |
| Water Solubility | Insoluble in water. |
| Sensitive | Air Sensitive |
| BRN | 1074079 |
| InChI | 1S/C12H25NO5/c1-3-14-5-7-16-9-11-18-12-10-17-8-6-15-4-2-13-1/h13H,1-12H2 |
| InChIKey | NBXKUSNBCPPKRA-UHFFFAOYSA-N |
| SMILES | C1COCCOCCOCCOCCOCCN1 |
| CAS DataBase Reference | 33941-15-0(CAS DataBase Reference) |
| UNSPSC Code | 12352005 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| WGK Germany | 3 | |||||||||
| F | 3-10 | |||||||||
| HS Code | 29349990 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
|||||||||
| NFPA 704 |
|
1,4,7,10,13-Pentaoxa-16-azacyclooctadecane price More Price(45)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 11382 | 1-Aza-18-crown-6 ≥98.0% (NT) | 33941-15-0 | 1g | $456 | 2026-04-30 | Buy |
| Sigma-Aldrich | 11382 | 1-Aza-18-crown-6 ≥98.0% (NT) | 33941-15-0 | 5g | $1950 | 2026-04-30 | Buy |
| TCI Chemical | A1324 | 1-Aza-18-crown 6-Ether >98.0%(GC) | 33941-15-0 | 1g | $311 | 2026-04-30 | Buy |
| TCI Chemical | A1324 | 1-Aza-18-crown 6-Ether >98.0%(GC) | 33941-15-0 | 5g | $1221 | 2026-04-30 | Buy |
| Biosynth | FA62063 | 1-Aza-18-crown 6-Ether | 33941-15-0 | 0.25g | $250 | 2026-06-04 | Buy |
1,4,7,10,13-Pentaoxa-16-azacyclooctadecane Chemical Properties,Uses,Production
Chemical Properties
white to light yellow crystals or crystalline mass
Uses
1-Aza-18-crown-6 is used as building block for the synthesis of bis-crown ethers, lariat ethers and other monofunctionalized macrocycles. It is also used as pharmaceutical intermediate.
Synthesis
37860-51-8
111-42-2
33941-15-0
To a 3L three-necked round-bottomed flask was sequentially added a magnetic stirrer, 1.50 L of tert-butanol (tBuOH) and potassium tert-butanol (KOtBu, 30.7 g, 274 mmol). The mixture was heated to 40 °C with continuous stirring for 30 min to ensure complete dissolution of KOtBu. Subsequently, tetraethylene glycol di-p-toluenesulfonate (46 g, 91.5 mmol, dissolved in 100 mL of dioxane) and diethanolamine (9.6 g, 91.3 mmol, dissolved in 100 mL of tBuOH), respectively, were slowly added dropwise to the reaction system over a period of 2 hours through two different dropping funnels. Note: The rate of titration has a significant effect on the reaction yield, and slow titration helps to increase the yield. After dropwise addition, the reaction mixture was continued to be stirred for 1 hour and subsequently cooled to room temperature. The reaction mixture was filtered through a Brinell funnel and the solvent was removed by rotary evaporator. To the residual brown viscous mass was added 100 mL of deionized water and extracted first with hexane (1 x 60 mL, discarding the hexane phase) and then with dichloromethane (CH2Cl2, 5 x 60 mL). The dichloromethane phases were combined, dried with anhydrous magnesium sulfate (MgSO4) and the solvent was again removed by rotary evaporator. The resulting dark brown residue was distilled under high vacuum through a ball-bulb distillation apparatus using a hot air gun for assisted heating, resulting in the colorless liquid-like product az-18-crown ether-6 (8.4 g, 35% yield). The nuclear magnetic resonance (NMR) spectrum of the product was consistent with the data reported in the literature. It was found that the tBuOH used in the reaction could be recovered by distillation and used in the subsequent synthesis of aza-crown ether even though it contained a small amount of dioxane (<5%).
References
[1] Bulletin of the Chemical Society of Japan, 1983, vol. 56, # 1, p. 212 - 218
[2] Polyhedron, 2018, vol. 141, p. 385 - 392
[3] Phosphorus, Sulfur and Silicon and the Related Elements, 2006, vol. 181, # 1, p. 219 - 225
[4] Journal of the Chemical Society, Chemical Communications, 1981, # 10, p. 471 - 472
1,4,7,10,13-Pentaoxa-16-azacyclooctadecane Preparation Products And Raw materials
Raw materials
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Preparation Products
1,4,7,10,13-Pentaoxa-16-azacyclooctadecane Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai YanyiBao Pharmaceutical Technology Co., Ltd. | 13661744693 | wangyue@yybyy.com | China | 1140 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Beijing HwrkChemical Technology Co., Ltd | 89508211 18501085097 | sales.bj@hwrkchemical.com | China | 9407 | 55 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Shandong Xiya Chemical Co., Ltd | 13355009207 13355009207 | 3007715519@qq.com | China | 18722 | 57 |
| Syntechem Co.,Ltd | info@syntechem.com | China | 12973 | 57 |
View Lastest Price from 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
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2024-08-15 | PENTAOXA-16-AZACYCLOOCTADECANE
33941-15-0
|
$1.00 | 1KG | 99% | 20T | Shaanxi Dideu Medichem Co. Ltd | |
 |
2019-07-10 | 1,4,7,10,13-PENTAOXA-16-AZACYCLOOCTADECANE
33941-15-0
|
$3.00 | 1KG | 99% | 100kg | Career Henan Chemical Co |
-
- PENTAOXA-16-AZACYCLOOCTADECANE
33941-15-0
- $1.00
- 99%
- Shaanxi Dideu Medichem Co. Ltd
-
- 1,4,7,10,13-PENTAOXA-16-AZACYCLOOCTADECANE
33941-15-0
- $3.00
- 99%
- Career Henan Chemical Co
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