1,4,7,13,16-Pentaoxa-10,19-diazacyclohenicosane

Base Information

• Chemical Name: 1,4,7,13,16-Pentaoxa-10,19-diazacyclohenicosane
• CAS No.: 23978-10-1
• Molecular Formula: C14H30 N2 O5
• Molecular Weight: 306.403
• Hs Code.: 2934999090
• European Community (EC) Number: 245-964-5
• DSSTox Substance ID: DTXSID60178698
• Nikkaji Number: J242.709E
• Wikidata: Q83049174
• Mol file: 23978-10-1.mol

Synonyms:23978-10-1;1,4,7,13,16-Pentaoxa-10,19-diazacyclohenicosane;EINECS 245-964-5;1,7,10,13,19-pentaoxa-4,16-diazacycloheneicosane;KRYPTOFIX23;KRYPTOFIX 23;1,4,7,13,16-Pentaoxa-10,19-diazacycloheneicosane;Kryptofix ? 23;Kryptofix (R) 23;SCHEMBL8749288;DTXSID60178698;C14-H30-N2-O5;FT-0696955;1,7,10,16,19-Pentaoxa-4,13-diazacycloheneicosane

Chemical Property of 1,4,7,13,16-Pentaoxa-10,19-diazacyclohenicosane

Chemical Property:

• Vapor Pressure: 8.93E-09mmHg at 25°C
• Melting Point: 39-41 °C
• Boiling Point: 463.6°Cat760mmHg
• PKA: 8.99±0.20(Predicted)
• Flash Point: 194.4°C
• PSA: 70.21000
• Density: 0.958g/cm³
• LogP: -0.08020
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 306.21547206
• Heavy Atom Count: 21
• Complexity: 190

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCOCCNCCOCCOCCOCCN1

Technology Process of 1,4,7,13,16-Pentaoxa-10,19-diazacyclohenicosane

There total 12 articles about 1,4,7,13,16-Pentaoxa-10,19-diazacyclohenicosane 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: 85.0%

1,14-dihydroxy-3,12-diaza-6,9-dioxatetradecane (50977-92-9) + diethylene glycol ditosylate (7460-82-4) → kryptofix 23 (23978-10-1)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; 1) r.t., 16 h; 2) 65 deg C, 2 h;

Reference yield: 70.0%

→ kryptofix 23 (23978-10-1)

Guidance literature:

Reference yield: 45.0%

10,19-bis-(p-tolylsulphonyl)-1,4,7,13,16-pentaoxa-10,19-diazacyclohemicosane (120808-60-8) → kryptofix 23 (23978-10-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 20h; Heating;

upstream raw materials:

1,4,7,13,16-pentaoxa-10,19-diaza-cycloheneicosane-11,18-dione

10,19-bis-(p-tolylsulphonyl)-1,4,7,13,16-pentaoxa-10,19-diazacyclohemicosane

1,14-dihydroxy-3,12-diaza-6,9-dioxatetradecane

diethylene glycol ditosylate

Downstream raw materials:

N,N'-bis(2-pyridylmethyl)diaza-21-crown-7

10,19-dibenzyl-10,19-diaza-1,4,7,13,16-pentaoxacyclohenicosane

10,19-bis[(octadecylcarbamoyl)methoxyacetyl]-1,4,7,13,16-pentaoxa-10,19-diazacycloheneicosane

2.2.2‐crypt