(3-Hydroxypropyl)phosphonic acid diethyl ester

Base Information

• Chemical Name: (3-Hydroxypropyl)phosphonic acid diethyl ester
• CAS No.: 55849-69-9
• Molecular Formula: C7H17O4P
• Molecular Weight: 196.183
• DSSTox Substance ID: DTXSID20503720
• Wikidata: Q82357732
• Mol file: 55849-69-9.mol

Synonyms:55849-69-9;(3-Hydroxypropyl)phosphonic acid diethyl ester;3-diethoxyphosphorylpropan-1-ol;DIETHYL 3-HYDROXYPROPYLPHOSPHONATE;Diethyl (3-hydroxypropyl)phosphonate;(3-hydroxy-propyl)-phosphonic acid diethyl ester;Diethyl hydroxypropylphosphonate;SCHEMBL4158399;DTXSID20503720;CUQDREPACNNCTH-UHFFFAOYSA-N;Diethyl-3-hydroxypropylphosphonate;AMY14668;MFCD27925488;AB87297;(3-Hydroxypropyl)phosphonicaciddiethylester;CS-0181031;F78985

Chemical Property of (3-Hydroxypropyl)phosphonic acid diethyl ester

Chemical Property:

• PSA: 65.57000
• LogP: 1.63490
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 196.08644602
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

(3-Hydroxypropyl)phosphonicaciddiethylester 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CCCO)OCC

Technology Process of (3-Hydroxypropyl)phosphonic acid diethyl ester

There total 7 articles about (3-Hydroxypropyl)phosphonic acid diethyl ester 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: 99.0%

acetic acid 3-(diethoxyphosphoryl)propyl ester (1186-23-8) → (3-hydroxypropyl)phosphonic acid diethyl ester (55849-69-9)

Guidance literature:

With methanol; potassium hydroxide; for 72h; Inert atmosphere; Reflux;

DOI:10.1007/s00706-008-0045-y

Reference yield: 93.0%

diethyl (3-((tetrahydro-2H-pyran-2-yl)oxy)propyl)phosphonate → (3-hydroxypropyl)phosphonic acid diethyl ester (55849-69-9)

Guidance literature:

With pyridinium p-toluenesulfonate; In ethanol; at 100 ℃; for 3h;

Reference yield: 85.0%

→ (3-hydroxypropyl)phosphonic acid diethyl ester (55849-69-9)

Guidance literature:

upstream raw materials:

acetic acid 3-(diethoxyphosphoryl)propyl ester

diethyl 3-(bromopropyl)phosphonic acid

ethyl 3-(diethoxyphosphoryl)propanoate

Diethyl phosphonate

Downstream raw materials:

C₃₈H₃₆FN₂O₇P

Refernces

• 1、 -. "PROCESS FOR PREPARING SULFONAMIDE COMPOUNDS". Page/Page column 76. . Retrieved 2020/09/03.
• 2、 -. "COMPOUND, SURFACE TREATMENT AGENT, AND SURFACE TREATMENT METHOD". Paragraph 0151; 0152. . Retrieved 2017/07/25.