3,7-Dioxa-4-aza-6-phosphanonanoic acid, 4,5-bis(1,1-dimethylethyl)-6-ethoxy-2,2-dimethyl-, 6-oxide

Base Information

• Chemical Name: 3,7-Dioxa-4-aza-6-phosphanonanoic acid, 4,5-bis(1,1-dimethylethyl)-6-ethoxy-2,2-dimethyl-, 6-oxide
• CAS No.: 654636-62-1
• Molecular Formula: C17H36NO6P
• Molecular Weight: 381.45
• DSSTox Substance ID: DTXSID20889197
• Nikkaji Number: J2.128.708C
• Mol file: 654636-62-1.mol

Synonyms:654636-62-1;3,7-Dioxa-4-aza-6-phosphanonanoic acid, 4,5-bis(1,1-dimethylethyl)-6-ethoxy-2,2-dimethyl-, 6-oxide;SCHEMBL521891;DTXSID20889197;2-methyl-2-[N-t-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)aminoxy]propionic acid

Chemical Property of 3,7-Dioxa-4-aza-6-phosphanonanoic acid, 4,5-bis(1,1-dimethylethyl)-6-ethoxy-2,2-dimethyl-, 6-oxide

Chemical Property:

• PSA: 95.11000
• LogP: 4.52000
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 381.22802487
• Heavy Atom Count: 25
• Complexity: 482

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOP(=O)(C(C(C)(C)C)N(C(C)(C)C)OC(C)(C)C(=O)O)OCC

Technology Process of 3,7-Dioxa-4-aza-6-phosphanonanoic acid, 4,5-bis(1,1-dimethylethyl)-6-ethoxy-2,2-dimethyl-, 6-oxide

There total 5 articles about 3,7-Dioxa-4-aza-6-phosphanonanoic acid, 4,5-bis(1,1-dimethylethyl)-6-ethoxy-2,2-dimethyl-, 6-oxide 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: 95.0%

N,N-diethyl-S-(α,α-dimethyl-α-acetic acid)dithiocarbamate (548761-51-9) + N-(2-methyl-2-propyl)-N-(1-diethylphosphono-2,2-dimethylpropyl)aminoxyl (188526-94-5) → N-(2-methyl-2-propyl)-N-(1-diethylphosphono-2,2-dimethylpropyl)-O-(2-carboxyprop-2-yl)hydroxylamide (654636-62-1)

Guidance literature:

In ethanol; at 10 ℃; for 4.5h; UV-irradiation;

DOI:10.1021/jo800422a

Reference yield: 93.0%

2,2'-azobis(isobutyric acid) disodium salt + N-(2-methyl-2-propyl)-N-(1-diethylphosphono-2,2-dimethylpropyl)aminoxyl (188526-94-5) → N-(2-methyl-2-propyl)-N-(1-diethylphosphono-2,2-dimethylpropyl)-O-(2-carboxyprop-2-yl)hydroxylamide (654636-62-1)

Guidance literature:

In methanol; water; at 10 ℃; for 4.5h; UV-irradiation;

DOI:10.1021/jo800422a

Reference yield: 90.0%

N,N-diethyl-S-(α,α-dimethyl-α-acetic acid)dithiocarbamate (548761-51-9) + N-(2-methyl-2-propyl)-N-(1-diethylphosphono-2,2-dimethylpropyl)aminoxyl (188526-94-5) → disulfiram (97-77-8) + N-(2-methyl-2-propyl)-N-(1-diethylphosphono-2,2-dimethylpropyl)-O-(2-carboxyprop-2-yl)hydroxylamide (654636-62-1)

Guidance literature:

In ethanol; at 20 ℃; for 4h; Product distribution / selectivity; Inert atmosphere; Photolysis;

upstream raw materials:

2-bromo-2-methylpropionic acid

N-(2-methyl-2-propyl)-N-(1-diethylphosphono-2,2-dimethylpropyl)aminoxyl

water

N,N-diethyl-S-(α,α-dimethyl-α-acetic acid)dithiocarbamate

Downstream raw materials:

Diethyl phosphonate

isobutyric Acid

diethyl 2,2-dimethyl-1-(1,1-dimethylethylamino)propylphosphonate

C₂₅H₄₃NO₉PS^(1-)*Na⁽¹⁺⁾

Refernces

• 1、 Guillaneuf, Yohann,Couturier, Jean-Luc,Gigmes, Didier,Marque, Sylvain R. A.,Tordo, Paul,Bertin, Denis. "Synthesis of highly labile SG1-based alkoxyamines under photochemical conditions". . p. 4728 - 4731. Retrieved 2008.
• 2、 -. "METHOD FOR PREPARING ALKOXYAMINES BY PHOTOLYSIS OF DITHIOCARBAMATES". Page/Page column 3. . Retrieved 2009/09/08.