Methyl 4-[ethoxycarbonyl-[(methyl-propan-2-yloxy-phosphoryl)methyl]amino]butanoate

Base Information

• Chemical Name: Methyl 4-[ethoxycarbonyl-[(methyl-propan-2-yloxy-phosphoryl)methyl]amino]butanoate
• CAS No.: 5577-62-8
• Molecular Formula: C13H26NO6P
• Molecular Weight: 323.3224
• DSSTox Substance ID: DTXSID50367271

Synonyms:5577-62-8;METHYL 4-[ETHOXYCARBONYL-[(METHYL-PROPAN-2-YLOXY-PHOSPHORYL)METHYL]AMINO]BUTANOATE;methyl 4-[ethoxycarbonyl-[[methyl(propan-2-yloxy)phosphoryl]methyl]amino]butanoate;CBMicro_049258;DTXSID50367271;BIM-0049077.P001;SR-01000214304;SR-01000214304-1;isopropyl methyl[N-ethoxycarbonyl-N-(3-methoxycarbonylpropyl)aminomethyl]phosphinate

Chemical Property of Methyl 4-[ethoxycarbonyl-[(methyl-propan-2-yloxy-phosphoryl)methyl]amino]butanoate

Chemical Property:

• Vapor Pressure: 1.39E-06mmHg at 25°C
• Boiling Point: 399.3°Cat760mmHg
• Flash Point: 195.3°C
• Density: 1.121g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 323.14977455
• Heavy Atom Count: 21
• Complexity: 385

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N(CCCC(=O)OC)CP(=O)(C)OC(C)C

Technology Process of Methyl 4-[ethoxycarbonyl-[(methyl-propan-2-yloxy-phosphoryl)methyl]amino]butanoate

There total 2 articles about Methyl 4-[ethoxycarbonyl-[(methyl-propan-2-yloxy-phosphoryl)methyl]amino]butanoate 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:

1,3,5-trichloro-2,4,6-triazine (108-77-0) + 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-octanol (307-30-2) → 2,4,6-tris(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)-1,3,5-triazine (5577-62-8)

Guidance literature:

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-octanol; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 1.5h;

1,3,5-trichloro-2,4,6-triazine; In tetrahydrofuran; for 5h; Reflux;

DOI:10.1039/c7cc07428j

Reference yield:

→ 2,4,6-tris(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)-1,3,5-triazine (5577-62-8)

Guidance literature:

DOI:10.1021/je60027a026

Reference yield:

2,4,6-tris(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)-1,3,5-triazine (5577-62-8) + aniline (62-53-3) → N,N-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)aniline

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; for 18h;

DOI:10.1039/c7cc07428j

upstream raw materials:

1,3,5-trichloro-2,4,6-triazine

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-octanol

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