Methylphosphonic difluoride

Base Information

• Chemical Name: Methylphosphonic difluoride
• CAS No.: 676-99-3
• Molecular Formula: CH3 F2 O P
• Molecular Weight: 100.005
• UNII: Z7V517240K
• DSSTox Substance ID: DTXSID5060980
• Nikkaji Number: J92.142D
• Wikipedia: Methylphosphonyl_difluoride
• Wikidata: Q2331638
• Mol file: 676-99-3.mol

Synonyms:methylphosphonic difluoride

Chemical Property of Methylphosphonic difluoride

Chemical Property:

• Vapor Pressure: 250mmHg at 25°C
• Melting Point: -37oC
• Boiling Point: 98-99°C
• PSA: 26.88000
• Density: 1,384 g/cm3
• LogP: 1.74830
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 99.98895804
• Heavy Atom Count: 5
• Complexity: 64

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Statements: 34-36/37/38
• Safety Statements: 23-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Chemical Weapons
• Canonical SMILES: CP(=O)(F)F

Technology Process of Methylphosphonic difluoride

There total 10 articles about Methylphosphonic difluoride 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%

methylphosphonic acid (993-13-5) → methylphosphonyl difluoride (676-99-3)

Guidance literature:

With trifluoro-[1,3,5]triazine; In chloroform; at 100 ℃; for 72h;

DOI:10.1080/10426501003671445

Reference yield:

C5H13FNOP (74963-92-1) → methylphosphonyl difluoride (676-99-3)

Guidance literature:

With hydrogen fluoride; In chloroform-d1;

DOI:10.1021/ja00533a040

Reference yield:

Dimethyl ether (115-10-6,157621-61-9) → methylphosphonyl difluoride (676-99-3)

Guidance literature:

With aluminium trichloride; trifluorophosphane; at 250 ℃;

upstream raw materials:

methylphosphonic acid dichloroanhydride

Dimethyl ether

acetic acid methyl ester

methyl-phosphonic acid-chloride diethylamide

Downstream raw materials:

(Fluor-dimethylarsinooxy-phosphoryl)-methan

ethyl methylphosphonofluoridate

methyl-phosphonic acid-fluoride-propyl ester

Refernces

β-Naphthoflavone analogs as potent and soluble aryl hydrocarbon receptor agonists: Improvement of solubility by disruption of molecular planarity

10.1016/j.bmc.2009.12.036

The research aimed to develop more potent and soluble aryl hydrocarbon receptor (AhR) agonists by modifying the molecular structure of b-naphthoflavone to disrupt its planarity. The study focused on introducing various substituents at the ortho-positions of the phenyl group to increase the dihedral angle, thereby reducing crystal packing energy and improving aqueous solubility. The most successful analog was the difluoro analog (1e), which exhibited seven times greater AhR-agonistic activity and three times greater solubility compared to b-naphthoflavone. The study concluded that disrupting molecular planarity is an effective strategy for improving the solubility of AhR agonists, offering a novel approach to developing more potent and soluble ligands for AhR research.