Lithium ionophore VII

Base Information

• Chemical Name: Lithium ionophore VII
• CAS No.: 106868-29-5
• Molecular Formula: C₂₈H₅₇O₈P
• Molecular Weight: 552.73
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID50399931
• Nikkaji Number: J685.022G
• Wikidata: Q82202712
• Mol file: 106868-29-5.mol

Synonyms:Lithium ionophore VII;106868-29-5;6-DODECYL(14-CROWN-4)-6-ETHANOL DIETHYLPHOSPHATE;2-(6-dodecyl-1,4,8,11-tetraoxacyclotetradec-6-yl)ethyl diethyl phosphate;SCHEMBL5854426;DTXSID50399931;FT-0721807;J-001667;Lithium ionophore VII, Selectophore(TM), function tested;Diethoxyphosphinic acid 2-(6-dodecyl-1,4,8,11-tetraoxacyclotetradecan-6-yl)ethyl ester

Chemical Property of Lithium ionophore VII

Chemical Property:

• Flash Point: -4℃
• PSA: 91.49000
• LogP: 7.34010
• Storage Temp.: 2-8°C
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 19
• Exact Mass: 552.37910577
• Heavy Atom Count: 37
• Complexity: 524

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Hazard Codes: F,N,Xn
• Statements: 11-67-65-50/53-38
• Safety Statements: 16-23-24/25-62-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC1(COCCOCCCOCCOC1)CCOP(=O)(OCC)OCC

Technology Process of Lithium ionophore VII

There total 4 articles about Lithium ionophore VII 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: 16.0%

diethyl chlorophosphate (814-49-3) + dodecyl-hydroxyethyl-14-crown-4 (106868-27-3) → diethoxyphosphoryloxyethyl-dodecyl-14-crown-4 (106868-29-5)

Guidance literature:

With pyridine; In benzene; 1 h, rt., then 2 h, reflux;

Reference yield:

3,7-dioxanonane-1,9-diylbis(toluene-p-sulphonate) (92144-75-7) → diethoxyphosphoryloxyethyl-dodecyl-14-crown-4 (106868-29-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 43 percent / NaH, LiClO₄ / dioxane / 20 h / Heating

2: 98 percent / toluene-p-sulphonic acid, hydrogen / 5percent Pd-C / ethanol / 30 °C / 2280 Torr

3: 16 percent / pyridine / benzene / 1 h, rt., then 2 h, reflux

With pyridine; hydrogen; lithium perchlorate; sodium hydride; toluene-4-sulfonic acid; palladium on activated charcoal; In 1,4-dioxane; ethanol; benzene;

Reference yield:

2-(2-Benzyloxy-ethyl)-2-dodecyl-propane-1,3-diol (106868-14-8) → diethoxyphosphoryloxyethyl-dodecyl-14-crown-4 (106868-29-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 43 percent / NaH, LiClO₄ / dioxane / 20 h / Heating

2: 98 percent / toluene-p-sulphonic acid, hydrogen / 5percent Pd-C / ethanol / 30 °C / 2280 Torr

3: 16 percent / pyridine / benzene / 1 h, rt., then 2 h, reflux

With pyridine; hydrogen; lithium perchlorate; sodium hydride; toluene-4-sulfonic acid; palladium on activated charcoal; In 1,4-dioxane; ethanol; benzene;

upstream raw materials:

diethyl chlorophosphate

dodecyl-hydroxyethyl-14-crown-4

3,7-dioxanonane-1,9-diylbis(toluene-p-sulphonate)

2-(2-Benzyloxy-ethyl)-2-dodecyl-propane-1,3-diol

Refernces