(Diethoxyphosphoryl)difluoroacetic acid

Base Information

• Chemical Name: (Diethoxyphosphoryl)difluoroacetic acid
• CAS No.: 97480-37-0
• Molecular Formula: C6H11 F2 O5 P
• Molecular Weight: 232.12
• Hs Code.: 2931900090
• European Community (EC) Number: 870-515-0
• DSSTox Substance ID: DTXSID20377741
• Wikidata: Q82167081
• Mol file: 97480-37-0.mol

Synonyms:97480-37-0;(Diethoxyphosphoryl)difluoroacetic acid;2-diethoxyphosphoryl-2,2-difluoroacetic acid;2-(diethyl phosphono)-2,2-difluoroacetic acid;2-(diethoxyphosphoryl)-2,2-difluoroacetic acid;(DIETHOXYPHOSPHORYL)DIFLUOROACETICACID;2-diethoxyphosphoryl-2,2-difluoro-acetic Acid;(diethoxy-phosphoryl)difluoroacetic acid;C6H11F2O5P;SCHEMBL10590583;DTXSID20377741;VKKHKYAVGAEJBE-UHFFFAOYSA-N;MFCD00233592;AKOS017343436;CS-0243199;EN300-260613

Chemical Property of (Diethoxyphosphoryl)difluoroacetic acid

Chemical Property:

• Vapor Pressure: 0.000717mmHg at 25°C
• Refractive Index: 1.409
• Boiling Point: 285.5°C at 760 mmHg
• PKA: 0.56±0.10(Predicted)
• Flash Point: 126.5°C
• PSA: 82.64000
• Density: 1.365g/cm³
• LogP: 1.92990
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 232.03121677
• Heavy Atom Count: 14
• Complexity: 245

Purity/Quality:

97% ^*data from raw suppliers

(DIETHOXYPHOSPHORYL)DIFLUOROACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(C(C(=O)O)(F)F)OCC

Technology Process of (Diethoxyphosphoryl)difluoroacetic acid

There total 1 articles about (Diethoxyphosphoryl)difluoroacetic 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: 69.0%

Diethyl difluoromethylphosphonate (1478-53-1) + carbon dioxide (124-38-9,18923-20-1) → Diethyl phosphoryl-2,2-difluoroacetic acid (97480-37-0)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; 1.) -78 deg C, 30 min, 2.) -78 to 0 deg C;

DOI:10.1039/a900339h

Reference yield: 98.0%

Diethyl phosphoryl-2,2-difluoroacetic acid (97480-37-0) → difluoro(diethoxyphosphoryl)acetyl chloride (97480-49-4)

Guidance literature:

With oxalyl dichloride; In benzene; for 20h; Inert atmosphere;

DOI:10.1016/j.jfluchem.2009.05.001

Reference yield: 87.0%

1,2,3,4,6-penta-O-benzyl-5-deoxy-5-amino-myo-inositol + Diethyl phosphoryl-2,2-difluoroacetic acid (97480-37-0) → 1,2,3,4,6-penta-O-benzyl-5-deoxy-5-(diethylphosphonodifluoroacetamido)-myo-inositol

Guidance literature:

With N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1039/c9md00163h

upstream raw materials:

Diethyl difluoromethylphosphonate

carbon dioxide

Downstream raw materials:

difluorophosphonoacetic acid

difluoro(diethoxyphosphoryl)acetyl chloride