Dimethyl hydrogen phosphate

Base Information

• Chemical Name: Dimethyl hydrogen phosphate
• CAS No.: 813-78-5
• Molecular Formula: C2H7O4P
• Molecular Weight: 126.049
• Hs Code.: 29199000
• European Community (EC) Number: 212-389-6
• NSC Number: 289396,2676
• UN Number: 3265
• UNII: HI4K2C9UEI
• DSSTox Substance ID: DTXSID5025150
• Nikkaji Number: J3.331F
• Wikidata: Q2823255
• Metabolomics Workbench ID: 74828
• Mol file: 813-78-5.mol

Synonyms:dimethyl phosphate;dimethyl phosphate, potassium salt;dimethyl phosphate, sodium salt;dimethylphosphate

Chemical Property of Dimethyl hydrogen phosphate

Chemical Property:

• Appearance/Colour: clear colorless to yellow or brown liquid
• Vapor Pressure: 1.28mmHg at 25°C
• Refractive Index: 1.408-1.41
• Boiling Point: 159.8 °C at 760 mmHg
• PKA: 1.24±0.50(Predicted)
• Flash Point: 50.4 °C
• PSA: 65.57000
• Density: 1.314 g/cm³
• LogP: 0.37960
• Storage Temp.: ?20°C
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 126.00819570
• Heavy Atom Count: 7
• Complexity: 81.7
• Transport DOT Label: Corrosive

Purity/Quality:

99%, ^*data from raw suppliers

dimethyl phosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; C
• Hazard Codes: Xi,C,T,F
• Statements: 36/37/38-39/23/24/25-23/24/25-11-52/53-43-34-21/22
• Safety Statements: 37/39-26-45-36/37-16-61-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=O)(O)OC

Technology Process of Dimethyl hydrogen phosphate

There total 111 articles about Dimethyl hydrogen 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: 82.0%

methanol (67-56-1) → trimethyl phosphite (512-56-1) + methylphosphate (812-00-0) + dimethylphosphoric acid (813-78-5)

Guidance literature:

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

Reference yield:

methanol (67-56-1) + erythro-1,2-dibromo-1-phenylpropylphosphonate → dimethylphosphoric acid (813-78-5) + P1,P2-Dimethyl diphosphate (26644-00-8) + methyl p-N,N-diethylaminobenzenephosphonate (57702-48-4)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine; N,N-diethylaniline; In chloroform; at 70 ℃; for 168h;

DOI:10.1021/ja00533a027

Reference yield:

erythro-1,2-dibromo-1-phenylpropylphosphonate + N,N-diethylaniline (91-66-7) → dimethylphosphoric acid (813-78-5) + P1,P2-Dimethyl diphosphate (26644-00-8) + methyl p-N,N-diethylaminobenzenephosphonate (57702-48-4)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine; methanol; In chloroform; at 70 ℃; for 96h;

DOI:10.1021/ja00533a027

upstream raw materials:

trimethyl phosphite

methanol

tetramethyl pyrophosphate

dimethyl sulfate

Downstream raw materials:

sodium dimethyl phosphate

dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate

ethyl 8-methoxy-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate

(2E-3-phenyl-prop-2-enonyl)-phosphonic acid dimethyl ester

Refernces

• 1、 Theis, Wolfgang,Regitz, Manfred. "Investigations on diazo compounds and azides- LXII.1 1 Part LXI: H. Heydt, P. Eisenbarth, K. Feith and M. Regitz, J. Heterocycl. Chem., 22, (1985), in press. Synthesis and reactions of a-diazo phosphonates with a conjugated 1,3-diene unit". . p. 2625 - 2634. Retrieved 1985.
• 2、 Bailly. "". . . Retrieved 1920.
• 3、 Aschmann, Sara M.,Tuazon, Ernesto C.,Long, William D.,Atkinson, Roger. "Atmospheric chemistry of dichlorvos". . p. 2756 - 2764. Retrieved 2011.
• 4、 Li, Ailin,Liu, Ye,Qin, Xiaohong,Wang, Liming,Xiong, Jian,Yu, Jianyong. "Scalable and hierarchically designed MOF fabrics by netting MOFs into nanofiber networks for high-performance solar-driven water purification". supporting information. p. 21005 - 21012. Retrieved 2021/10/05.
• 5、 Devulapalli, Venkata Swaroopa Datta,Richard, Mélissandre,Luo, Tian-Yi,De Souza, Mattheus L.,Rosi, Nathaniel L.,Borguet, Eric. "Tuning the Lewis acidity of metal-organic frameworks for enhanced catalysis". supporting information. p. 3116 - 3120. Retrieved 2021/03/16.