2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide

Base Information

• Chemical Name: 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide
• CAS No.: 67590-59-4
• Molecular Formula: C7H14NO2PS
• Molecular Weight: 207.23
• DSSTox Substance ID: DTXSID40217913
• Nikkaji Number: J84.620A
• Wikidata: Q83094618
• Mol file: 67590-59-4.mol

Synonyms:BRN 2260561;67590-59-4;2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide;4-Ethyl-7-methyl-7-aza-2,6-dioxa-1-phosphabicyclo(2.2.2)octane, 1-sulfide;C7H14NO2PS;DTXSID40217913;C7-H14-N-O2-P-S;4-Ethyl-7-methyl-7-aza-2,6-dioxa-1-phosphabicyclo[2.2.2]octane1-sulfide;LS-22652;2,6-Dioxa-7-aza-1-phosphabicyclo[2.2.2]octane, 4-ethyl-7-methyl-, 1-sulfide

Chemical Property of 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide

Chemical Property:

• Vapor Pressure: 0.0572mmHg at 25°C
• Boiling Point: 233°C at 760 mmHg
• Flash Point: 94.7°C
• PSA: 63.60000
• Density: 1.28g/cm³
• LogP: 2.18800
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 207.04828686
• Heavy Atom Count: 12
• Complexity: 234

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC12CN(P(=S)(OC1)OC2)C

Technology Process of 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide

There total 3 articles about 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide 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:

2-(2-Bromo-ethyl)-2-ethyl-propane-1,3-diol → 4-ethyl-7-methyl-2,6-dioxa-7-aza-1-phospha-bicyclo[2.2.2]octane 1-sulfide (67590-59-4)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol / 24 h / 130 - 140 °C

2: HMPT

3: sulfur

With N,N,N,N,N,N-hexamethylphosphoric triamide; sulfur; In ethanol;

Reference yield:

4-ethyl-7-methyl-2,6-dioxa-7-aza-1-phospha-bicyclo[2.2.2]octane (67590-58-3) → 4-ethyl-7-methyl-2,6-dioxa-7-aza-1-phospha-bicyclo[2.2.2]octane 1-sulfide (67590-59-4)

Guidance literature:

With sulfur;

Reference yield:

2-ethyl-2-(methylamino-methyl)-propane-1,3-diol → 4-ethyl-7-methyl-2,6-dioxa-7-aza-1-phospha-bicyclo[2.2.2]octane 1-sulfide (67590-59-4)

Guidance literature:

Multi-step reaction with 2 steps

1: HMPT

2: sulfur

With N,N,N,N,N,N-hexamethylphosphoric triamide; sulfur;

upstream raw materials:

4-ethyl-7-methyl-2,6-dioxa-7-aza-1-phospha-bicyclo[2.2.2]octane

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