1,4,7,10-Tetraoxa-13-azacyclopentadecane

Base Information

• Chemical Name: 1,4,7,10-Tetraoxa-13-azacyclopentadecane
• CAS No.: 66943-05-3
• Molecular Formula: C10H21NO4
• Molecular Weight: 219.281
• Hs Code.: 2932.99
• European Community (EC) Number: 266-523-3
• DSSTox Substance ID: DTXSID10217147
• Nikkaji Number: J310.172J
• Wikidata: Q72444105
• ChEMBL ID: CHEMBL441770
• Mol file: 66943-05-3.mol

Synonyms:1,4,7,10-Tetraoxa-13-azacyclopentadecane;66943-05-3;Aza-15-crown-5;1-Aza-15-crown-5;1-Aza-15-crown 5-Ether;1-aza-15-crown;EINECS 266-523-3;MFCD00075465;Oprea1_453995;SCHEMBL111814;CHEMBL441770;DTXSID10217147;1-Aza-15-crown-5, 97%;STL357210;AKOS001579696;AS-40641;1-aza-4,7,10,13-tetraoxacyclopentadecane;A1323;CS-0120641;FT-0607355;A914103

Chemical Property of 1,4,7,10-Tetraoxa-13-azacyclopentadecane

Chemical Property:

• Appearance/Colour: light brown crystalline mass
• Vapor Pressure: 5.54E-05mmHg at 25°C
• Melting Point: 35-37 °C(lit.)
• Refractive Index: 1.4711
• Boiling Point: 347 °C at 760 mmHg
• Flash Point: 140.5 °C
• PSA: 48.95000
• Density: 0.968g/cm³
• LogP: -0.01520
• Storage Temp.: 0-6°C
• Sensitive.: Air Sensitive
• Water Solubility.: soluble
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 219.14705815
• Heavy Atom Count: 15
• Complexity: 121

Purity/Quality:

97% ^*data from raw suppliers

1,4,7,10-Tetraoxa-13-azacyclopentadecane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn; Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/22
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCOCCOCCOCCN1
• Uses: 1-Aza-15-crown-5 is used as building block for the synthesis of bis-crown ethers, lariat ethers and other monofuctionalized macrocycles. It is also used as pharmaceutical intermediate.

Technology Process of 1,4,7,10-Tetraoxa-13-azacyclopentadecane

There total 22 articles about 1,4,7,10-Tetraoxa-13-azacyclopentadecane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

1-benzyl-1-aza-15-crown-5 (71089-11-7) → 1,4,7,10-tetraoxa-15-azacyclopentadecane (66943-05-3)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal;

DOI:10.1021/ja00274a047

Reference yield: 83.0%

13-(p-Tolylsulfonyl)-1,4,7,10-tetraoxa-13-azacyclopentadecan (71089-10-6) → 1,4,7,10-tetraoxa-15-azacyclopentadecane (66943-05-3)

Guidance literature:

With lithium aluminium tetrahydride;

Reference yield: 59.0%

2,2'-iminobis[ethanol] (111-42-2) + triethylene glycol di-(p-toluenesulfonate) (19249-03-7) → 1,4,7,10-tetraoxa-15-azacyclopentadecane (66943-05-3)

Guidance literature:

With sodium t-butanolate; In 1,4-dioxane; tert-butyl alcohol; at 40 ℃; for 2h;

DOI:10.1246/bcsj.56.212

upstream raw materials:

13-(p-Tolylsulfonyl)-1,4,7,10-tetraoxa-13-azacyclopentadecan

1-benzyl-1-aza-15-crown-5

1,4,7,10-Tetraoxa-13-aza-cyclopentadecane-13-carboximidic acid methyl ester

3,6,12-trioxa-9-azatetradecane-1,14-diol

Downstream raw materials:

1-benzyl-1-aza-15-crown-5

13-methyl-1,4,7,10-tetraoxa-13-azacyclopentadecane

1,4,7,10-tetraoxa-13-(di-N-aziridinylphosphoryl)azacyclopentadecane

N-Phenyl-2-(1,4,7,10-tetraoxa-13-aza-cyclopentadecane-13-carbonyl)-benzamide