3,4-Dimethyl-1H-pyrazole phosphate

Base Information

• Chemical Name: 3,4-Dimethyl-1H-pyrazole phosphate
• CAS No.: 202842-98-6
• Molecular Formula: C5H8N2^.H3O4P
• Molecular Weight: 194.127
• Hs Code.: 2933199090
• European Community (EC) Number: 424-640-9,815-238-8
• DSSTox Substance ID: DTXSID501024432
• Mol file: 202842-98-6.mol

Synonyms:3,4-dimethylpyrazole phosphate;3,4-DMPP

Chemical Property of 3,4-Dimethyl-1H-pyrazole phosphate

Chemical Property:

• Melting Point: 167-169°C
• PSA: 116.25000
• LogP: 0.09790
• Storage Temp.: Hygroscopic, Refrigerator, Under Inert Atmosphere
• Solubility.: Methanol (Slightly), Water
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 194.04564383
• Heavy Atom Count: 12
• Complexity: 113

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dimethylpyrazole Phosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(NN=C1)C.OP(=O)(O)O
• Description: 3,4-Dimethylpyrazole (phosphate) (3,4-DMPP) is an inhibitor of nitrification deemed safe by extensive standard toxicology and ecotoxicology tests. When utilized on crops, 3,4-DMPP prevents nitrogen loss from soil, increases nitrogen use efficiency, and boosts crop yields. However, a meta-analysis found no influence of 3,4-DMPP on net crop yield, although it may boost yields in alkaline soil. 3,4-DMPP may be less effective in acidic soils and in the post-harvest period. DMPP interferes with ammonia monooxygenase from ammonia-oxidizing bacteria (AOB) and archaea (AOA) but may not directly affect AOB, AOA, and non-target populations.
• Uses: A new nitrification inhibitor to be used on solid and in liquid fertilizers and slurry. As a new nitrification inhibitor, 3,4-Dimethylpyrazole phosphate can be used on solid and in liquid fertilizers and slurry

Technology Process of 3,4-Dimethyl-1H-pyrazole phosphate

There total 3 articles about 3,4-Dimethyl-1H-pyrazole 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: 95.9%

3,4-dimethyl-1H-pyrazole (2820-37-3) → 3,4-dimethylpyrazole phosphate (202842-98-6)

Guidance literature:

With phosphoric acid; In ethanol; water; at 0.45 ℃; Temperature; Large scale;

Reference yield:

1-dimethylamino-2-methyl-1-buten-3-one (1187-89-9) → 3,4-dimethylpyrazole phosphate (202842-98-6)

Guidance literature:

1-dimethylamino-2-methyl-1-buten-3-one; With hydrogenchloride; hydrazine hydrate; In water; at 15 - 45 ℃; for 2h; pH=7 - 9;

With phosphoric acid; In methanol; at 15 - 25 ℃; pH=3 - 7;

Reference yield:

3-chloro-2-methyl-2-butenal (1679-40-9) → 3,4-dimethylpyrazole phosphate (202842-98-6)

Guidance literature:

3-chloro-2-methyl-2-butenal; With hydrogenchloride; hydrazine hydro-chloride; In water; at 15 - 45 ℃; for 2h; pH=7 - 9; Industrial scale;

With phosphoric acid; In methanol; at 15 - 25 ℃; for 2h; pH=3 - 7; Reagent/catalyst; Temperature; Industrial scale;

upstream raw materials:

3,4-dimethyl-1H-pyrazole

1-dimethylamino-2-methyl-1-buten-3-one

3-chloro-2-methyl-2-butenal

Refernces

• 1、 -. "Preparation method of 3, 4-dimethylpyrazole and phosphate thereof". Paragraph 0027-0030; 0033-0035; 0037-0039; 0041-0043; 0045. . Retrieved 2020/03/17.
• 2、 -. "Preparation method of 3,4-dimethylpyrazole and preparation method of 3,4-dimethylpyrazole phosphate". Paragraph 0050-0053. . Retrieved 2019/10/01.