Phosphonic acid, (3,3-difluoro-2-oxo-3-phenylpropyl)-, dimethyl ester

Base Information

• Chemical Name: Phosphonic acid, (3,3-difluoro-2-oxo-3-phenylpropyl)-, dimethyl ester
• CAS No.: 82302-97-4
• Molecular Formula: C11H13F2O4P
• Molecular Weight: 278.192
• Mol file: 82302-97-4.mol

Synonyms:3,3-difluoro-2-oxo-3-phenylpropylphosphonate;dimethyl 3,3-difluoro-2-oxo-3-phenyl-propylphosphonate;dimethyl 3,3-difluoro-2-oxo-3-phenylpropylphosphonate;(3,3-Difluoro-2-oxo-3-phenyl-propyl)-phosphonic acid dimethyl ester;

Chemical Property of Phosphonic acid, (3,3-difluoro-2-oxo-3-phenylpropyl)-, dimethyl ester

Chemical Property:

• PSA: 62.41000
• LogP: 2.83340

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Phosphonic acid, (3,3-difluoro-2-oxo-3-phenylpropyl)-, dimethyl ester

There total 3 articles about Phosphonic acid, (3,3-difluoro-2-oxo-3-phenylpropyl)-, dimethyl ester 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: 87.0%

ethyl 2,2-difluoro-2-phenylacetate (2248-46-6) + dimethyl methane phosphonate (756-79-6) → dimethyl (3,3-difluoro-2-oxo-3-phenylpropyl)phosphonate (82302-97-4)

Guidance literature:

dimethyl methane phosphonate; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.333333h;

ethyl 2,2-difluoro-2-phenylacetate; In tetrahydrofuran; hexane; at -78 ℃; for 4h;

DOI:10.3987/COM-04-S(P)47

Reference yield:

methyl 2,2-difluoro-2-phenylacetate (56071-96-6) + dimethyl methane phosphonate (756-79-6) → dimethyl (3,3-difluoro-2-oxo-3-phenylpropyl)phosphonate (82302-97-4)

Guidance literature:

dimethyl methane phosphonate; With n-butyllithium; In tetrahydrofuran; hexanes; at -78 ℃; for 0.5h;

methyl 2,2-difluoro-2-phenylacetate; at 20 ℃;

Reference yield:

phenylglyoxylic acid ethyl ester (1603-79-8) → dimethyl (3,3-difluoro-2-oxo-3-phenylpropyl)phosphonate (82302-97-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 91 percent / diethylaminosulfur trifluoride / toluene / 20 °C

2.1: n-BuLi / tetrahydrofuran; hexane / 0.33 h / -78 °C

2.2: 87 percent / tetrahydrofuran; hexane / 4 h / -78 °C

With n-butyllithium; diethylamino-sulfur trifluoride; In tetrahydrofuran; hexane; toluene;

DOI:10.3987/COM-04-S(P)47

upstream raw materials:

ethyl 2,2-difluoro-2-phenylacetate

dimethyl methane phosphonate

phenylglyoxylic acid ethyl ester

methyl 2,2-difluoro-2-phenylacetate

Downstream raw materials:

7-{(2R)-2-[(1E)-4,4-difluoro-3-oxo-4-phenylbut-1-en-1-yl]-5-oxopyrrolidin-1-yl}heptanenitrile

7-{(2R)-2-[(1E,3R)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-5-oxopyrrolidin-1-yl}heptanenitrile

7-{(2R)-2-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-5-oxopyrrolidin-1-yl}heptanenitrile

C₁₁H₁₂F₂O₄P^(1-)*Na⁽¹⁺⁾