2-(6-Diethoxyphosphorylhexyl)isoindole-1,3-dione

Base Information

• Chemical Name: 2-(6-Diethoxyphosphorylhexyl)isoindole-1,3-dione
• CAS No.: 86552-92-3
• Molecular Formula: C18H26 N O5 P
• Molecular Weight: 367.382
• NSC Number: 83533
• DSSTox Substance ID: DTXSID70292536
• Wikidata: Q82030879
• Mol file: 86552-92-3.mol

Synonyms:86552-92-3;2-(6-diethoxyphosphorylhexyl)isoindole-1,3-dione;NSC83533;NCIOpen2_009196;SCHEMBL4168183;DTXSID70292536;CDLKNEPNIRRATK-UHFFFAOYSA-N;NSC-83533;6-phthalimidohexyl-phosphonic acid diethyl ester;(6-Phthalimidohexyl)phosphonic acid, diethyl ester

Chemical Property of 2-(6-Diethoxyphosphorylhexyl)isoindole-1,3-dione

Chemical Property:

• Vapor Pressure: 6.45E-10mmHg at 25°C
• Boiling Point: 494.4°C at 760 mmHg
• Flash Point: 252.8°C
• Density: 1.188g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 367.15485993
• Heavy Atom Count: 25
• Complexity: 476

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CCCCCCN1C(=O)C2=CC=CC=C2C1=O)OCC

Technology Process of 2-(6-Diethoxyphosphorylhexyl)isoindole-1,3-dione

There total 1 articles about 2-(6-Diethoxyphosphorylhexyl)isoindole-1,3-dione 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:

6-phthalimido-1-hexanol (63945-11-9) → 6-phthalimidohexylphosphonic acid diethyl ester (86552-92-3)

Guidance literature:

Multi-step reaction with 2 steps

1: carbon tetrabromide; triphenylphosphine / acetonitrile / 20 °C

2: 6 h / 150 °C

With carbon tetrabromide; triphenylphosphine; In acetonitrile;

Reference yield:

6-phthalimidohexylphosphonic acid diethyl ester (86552-92-3) → 6-aminohexanephosphonic acid (94219-61-1)

Guidance literature:

With hydrogenchloride; Yield given;

Reference yield:

6-phthalimidohexylphosphonic acid diethyl ester (86552-92-3) → ethyl P-6-aminohexyl-N-cyclohexylphosphonimidate (1170233-70-1)

Guidance literature:

Multi-step reaction with 3 steps

1: phosphorus pentachloride / toluene / Reflux

2: triethylamine / dichloromethane / 0 - 20 °C

3: hydrazine / ethanol / 0.33 h / 130 °C / Microwave irradiation

With phosphorus pentachloride; triethylamine; hydrazine; In ethanol; dichloromethane; toluene;

upstream raw materials:

6-phthalimido-1-hexanol

Downstream raw materials:

6-aminohexanephosphonic acid

ethyl P-6-aminohexyl-N-cyclohexylphosphonimidate

ethyl N-cyclohexyl-P-(6-(1,3-dioxoisoindolin-2-yl)hexyl)phosphonamidate