Ethyl 2-(diethoxyphosphoryl)hexanoate

Base Information

• Chemical Name: Ethyl 2-(diethoxyphosphoryl)hexanoate
• CAS No.: 4134-14-9
• Molecular Formula: C12H25O5P
• Molecular Weight: 280.301
• DSSTox Substance ID: DTXSID80547266
• Nikkaji Number: J1.919.377B
• Mol file: 4134-14-9.mol

Synonyms:ethyl 2-(diethoxyphosphoryl)hexanoate;4134-14-9;SCHEMBL3675752;DTXSID80547266;ethyl 2-diethoxyphosphorylhexanoate;2-diethoxyphosphoryl-hexanoic acid ethyl ester;G63335

Chemical Property of Ethyl 2-(diethoxyphosphoryl)hexanoate

Chemical Property:

• Vapor Pressure: 5.46E-05mmHg at 25°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 280.14396089
• Heavy Atom Count: 18
• Complexity: 270

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(C(=O)OCC)P(=O)(OCC)OCC

Technology Process of Ethyl 2-(diethoxyphosphoryl)hexanoate

There total 10 articles about Ethyl 2-(diethoxyphosphoryl)hexanoate 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: 100.0%

Ethyl 2-bromohexanoate (615-96-3) + triethyl phosphite (122-52-1) → ethyl 2-(diethoxyphosphoryl)hexanoate (4134-14-9)

Guidance literature:

at 130 ℃; for 10h; Sealed tube;

Reference yield: 77.0%

1-bromo-butane (109-65-9) + diethoxyphosphoryl-acetic acid ethyl ester (867-13-0) → ethyl 2-(diethoxyphosphoryl)hexanoate (4134-14-9)

Guidance literature:

With potassium carbonate; sodium iodide; at 60 ℃; for 240h;

DOI:10.1055/s-1986-31824

Reference yield: 67.0%

diethyl α-diazo β-ketohexylphosphonate → ethyl 2-(diethoxyphosphoryl)hexanoate (4134-14-9) + diethyl<(3-methyl)-oxocyclopent-2-yl>phosphonate (96816-53-4)

Guidance literature:

rhodium(II) acetate; In dichloromethane; Heating;

DOI:10.1016/S0040-4039(00)96925-9

upstream raw materials:

diethoxyphosphoryl-acetic acid ethyl ester

Ethyl 2-bromohexanoate

triethyl phosphite

1-bromo-butane

Downstream raw materials:

1-amino-pentylphosphonic acid

5-(2-ethoxycarbonyl-hexyl)-2-methoxy-benzoic acid

Refernces

• 1、 -. "Efficient and stable small molecule agonist of v [gamma] 9v delta 2t cells". Paragraph 0501-0503; 0553-0555. . Retrieved 2019/04/30.
• 2、 Jiang, Bing,Zhao, Meng,Li, Shu-Sen,Xu, Yun-He,Loh, Teck-Peng. "Macrolide Synthesis through Intramolecular Oxidative Cross-Coupling of Alkenes". supporting information. p. 555 - 559. Retrieved 2018/02/21.