(2-Hydroxyethyl)phosphonic acid

Base Information

• Chemical Name: (2-Hydroxyethyl)phosphonic acid
• CAS No.: 22987-21-9
• Molecular Formula: C2H7 O4 P
• Molecular Weight: 126.049
• Hs Code.: 2931900090
• European Community (EC) Number: 245-370-6
• UNII: 8A26D6AUP2
• DSSTox Substance ID: DTXSID70177531
• Nikkaji Number: J21.058G
• Wikidata: Q27105414
• Metabolomics Workbench ID: 52845
• ChEMBL ID: CHEMBL1229938
• Mol file: 22987-21-9.mol

Synonyms:2-hydroxyethylphosphonic acid

Chemical Property of (2-Hydroxyethyl)phosphonic acid

Chemical Property:

• Vapor Pressure: 5.14E-08mmHg at 25°C
• Boiling Point: 398.8°Cat760mmHg
• Flash Point: 195°C
• PSA: 87.57000
• Density: 1.611g/cm³
• LogP: -0.84360
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Sparingly), Methanol (Slightly)
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 126.00819570
• Heavy Atom Count: 7
• Complexity: 83.7

Purity/Quality:

99% ^*data from raw suppliers

2-HydroxyethanephosphonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CP(=O)(O)O)O
• Uses: 2-Hydroxyethanephosphonic acid is an substrate used in the study of 2-hydroxyethylphosphonate dioxygenase reaction mechanism. 2-Hydroxyethanephosphonic Acid is also a required intermediate in labelled Fosfomycin (F727502) biosynthesis. 2-Hydroxyethanephosphonic acid is an substrate used in the study of 2-hydroxyethylphosphonate dioxygenase reaction mechanism. 2-Hydroxyethanephosphonic Acid is also a required intermediate in labelled Fosfomycin (F727502) biosynthesis.

Technology Process of (2-Hydroxyethyl)phosphonic acid

There total 20 articles about (2-Hydroxyethyl)phosphonic acid 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%

dimethyl 2-hydroxyethylphosphonate (54731-72-5) → β-Hydroxyethanphosphonsaeure (22987-21-9)

Guidance literature:

dimethyl 2-hydroxyethylphosphonate; With trimethylsilyl bromide; In dichloromethane; at 0 - 20 ℃; for 13h;

In methanol; at 20 ℃; for 12h;

DOI:10.1002/anie.201702572

Reference yield: 97.0%

(2-benzyloxy-ethyl)-phosphonic acid dibenzyl ester → β-Hydroxyethanphosphonsaeure (22987-21-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃;

DOI:10.1039/b614678c

Reference yield: 89.0%

2-acetoxyethanephosphonic acid dimethyl ester (39118-50-8) → β-Hydroxyethanphosphonsaeure (22987-21-9)

Guidance literature:

With water; at 100 ℃; for 15h;

upstream raw materials:

oxirane

(2-hydroxyethyl)phosphine

2-chloroethylphosphonic acid

2-acetoxyethanephosphonic acid dimethyl ester

Downstream raw materials:

fosfomycin

formic acid

hydroxymethylphosphonic acid

methylphosphonic acid

Refernces

• 1、 Kaya, Kunimitsu,Morrison, Louise F.,Codd, Geoffrey A.,Metcalf, James S.,Sano, Tomoharu,Takagi, Hiroo,Kubo, Takuya. "A novel biosurfactant, 2-acyloxyethylphosphonate, isolated from waterblooms of Aphanizomenon flos-aquae". . p. 539 - 548. Retrieved 2006.
• 2、 Lantz, Stephen R.,Casida, John E.. "Characterization of the transient oxaphosphetane BChE inhibitor formed from spontaneously activated ethephon". . p. 1320 - 1322. Retrieved 2013.
• 3、 Kinarivala, Nihar,Suh, Ji Ho,Botros, Mina,Webb, Paul,Trippier, Paul C.. "Pharmacophore elucidation of phosphoiodyn A - Potent and selective peroxisome proliferator-activated receptor β/δ agonists with neuroprotective activity". supporting information. p. 1889 - 1893. Retrieved 2016/04/05.