Ethyl dihydrogen phosphate

Base Information

• Chemical Name: Ethyl dihydrogen phosphate
• CAS No.: 1623-14-9
• Molecular Formula: C2H7O4P
• Molecular Weight: 126.049
• Hs Code.: 2919900090
• European Community (EC) Number: 216-603-9
• UNII: BMH1WT204A
• DSSTox Substance ID: DTXSID70862718
• Nikkaji Number: J195.250A
• Wikidata: Q23994379
• Metabolomics Workbench ID: 41931
• Mol file: 1623-14-9.mol

Synonyms:monoethyl phosphate;monoethyl phosphate, diammonium salt;monoethyl phosphate, dipotassium salt;monoethyl phosphate, disodium salt;monoethyl phosphate, zinc salt (1:1)

Chemical Property of Ethyl dihydrogen phosphate

Chemical Property:

• Vapor Pressure: 0.00607mmHg at 25°C
• Melting Point: 42 °C
• Refractive Index: 1.4270
• Boiling Point: 252.4 °C at 760 mmHg
• PKA: 1.91±0.10(Predicted)
• Flash Point: 106.4 °C
• PSA: 76.57000
• Density: 1.447 g/cm³
• LogP: 0.11560
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• 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

EthylDihydrogenPhosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(O)O
• Uses: Ethyl Dihydrogen Phosphate, can be used in structure-based drug design studies on series of aldolase inhibitors

Technology Process of Ethyl dihydrogen phosphate

There total 76 articles about Ethyl dihydrogen phosphate 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: 84.0%

ethanol (64-17-5) → ethyl phosphate (1623-14-9) + Diethyl phosphate (598-02-7) + triethyl phosphate (78-40-0)

Guidance literature:

With phosphorus; tetraethylammonium iodide; In water; acetonitrile; electrolysis;

Reference yield: 14.3%

O,O-diethyl-S-(2-butenyl) thiophosphate (10428-94-1) → ethyl phosphate (1623-14-9) + Diethyl phosphate (598-02-7) + 2-butenyl mercaptan (5954-72-3) + ethyl 2-butenyl sulfide (35976-82-0)

Guidance literature:

With potassium hydroxide; at 110 ℃; Product distribution; Mechanism;

Reference yield:

methanol (67-56-1) + cyclohexylammonium α-(p-nitrophenyl)vinyl ethyl phosphate (92670-56-9) → ethyl phosphate (1623-14-9) + 1-(1,1-dimethoxyethyl)-4-nitrobenzene (53577-98-3) + (4-nitrophenyl)ethanone (100-19-6)

Guidance literature:

With hydrogenchloride; at 50.5 ℃; Rate constant; Mechanism;

DOI:10.1021/jo00198a003

upstream raw materials:

4-methyl-morpholine

triethyl phosphate

diethyl ether

ethanol

Downstream raw materials:

ethene

anilinium ethyl hydrogenphosphate

formaldehyd

formic acid

Refernces

• 1、 Mueller,A.. "". . p. 2106. Retrieved 1925.
• 2、 Kluger, Ronald,Li, Xianfeng,Loo, Richard W.. "1996 Bader Award Lecture Aminoacyl ethyl phosphates. Biomimetically activated amino acids". . p. 2395 - 2400. Retrieved 1996.
• 3、 Wada, Takeshi,Mochizuki, Akira,Sato, Yuichi,Sekine, Mitsuo. "A convenient method for phosphorylation involving a facile oxidation of H-Phosphonate monoesters via bis(trimethylsilyl) phosphites". . p. 7123 - 7126. Retrieved 1998.
• 4、 -. "METHOD FOR PRODUCING PHOSPHOESTER COMPOUND". Paragraph 0023-0025. . Retrieved 2021/09/27.
• 5、 Seio, Kohji,Shiozawa, Takashi,Sugiyama, Daiki,Ohno, Kentaro,Tomori, Takahito,Masaki, Yoshiaki. "31PNMR study on the reactions of amino acids and sugar derivatives with pyrophosphorous acid as a possible prebiotic phosphonylating agent". . p. 905 - 911. Retrieved 2019/05/21.