Phosphonic acid, [(2S)-2-amino-2-(4-fluorophenyl)ethyl]-, diethyl ester

Base Information

Chemical Name:Phosphonic acid, [(2S)-2-amino-2-(4-fluorophenyl)ethyl]-, diethyl ester
CAS No.:827321-02-8
Molecular Formula:C12H19FNO3P
Molecular Weight:275.26
Hs Code.:
DSSTox Substance ID:DTXSID10464139
Wikidata:Q82289346

Synonyms:827321-02-8;Phosphonic acid, [(2S)-2-amino-2-(4-fluorophenyl)ethyl]-, diethyl ester;DTXSID10464139

Suppliers and Price of Phosphonic acid, [(2S)-2-amino-2-(4-fluorophenyl)ethyl]-, diethyl ester

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Chemical Property of Phosphonic acid, [(2S)-2-amino-2-(4-fluorophenyl)ethyl]-, diethyl ester

Chemical Property:

XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:275.10865863
Heavy Atom Count:18
Complexity:273

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOP(=O)(CC(C1=CC=C(C=C1)F)N)OCC
Isomeric SMILES:CCOP(=O)(C[C@H](C1=CC=C(C=C1)F)N)OCC

Technology Process of Phosphonic acid, [(2S)-2-amino-2-(4-fluorophenyl)ethyl]-, diethyl ester

There total 3 articles about Phosphonic acid, [(2S)-2-amino-2-(4-fluorophenyl)ethyl]-, diethyl 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:

: C₁₂H₁₇FNO₃P

: 827321-01-7
diethyl (2R)-β-amino-β-(p-fluorophenyl)ethylphosphonate

: 827321-02-8
diethyl (2S)-β-amino-β-(p-fluorophenyl)ethylphosphonate

Guidance literature:: With bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; (S)-(-)-[(S)-2-diphenylphosphinoferrocenyl](N,N-dimethylamino)(2-diphenylphosphinophenyl)methane; hydrogen; In 2,2,2-trifluoroethanol; at 40 ℃; for 20h; under 30402 Torr; Overall yield = 97 %; enantioselective reaction; Inert atmosphere; Autoclave;
DOI:10.1039/c6ob00540c

Reference yield:

: [(S)-2-Azido-2-(4-fluoro-phenyl)-ethyl]-phosphonic acid diethyl ester

: 827321-02-8
diethyl (2S)-β-amino-β-(p-fluorophenyl)ethylphosphonate

Guidance literature:: Multi-step reaction with 2 steps

1: benzene / 2 h / 20 °C

2: H₂O / 4 h / 55 °C

With water; In benzene;
DOI:10.1002/ejoc.200400420

Reference yield:

: 683-08-9
Diethyl methylphosphonate

: 1194-02-1,143234-87-1
4-fluorobenzonitrile

: 827321-01-7
diethyl (2R)-β-amino-β-(p-fluorophenyl)ethylphosphonate

: 827321-02-8
diethyl (2S)-β-amino-β-(p-fluorophenyl)ethylphosphonate

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-butyllithium / tetrahydrofuran; hexane / 1 h / -78 °C

1.2: 2.25 h / -78 - 0 °C

2.1: hydrogen; (S)-(-)-[(S)-2-diphenylphosphinoferrocenyl](N,N-dimethylamino)(2-diphenylphosphinophenyl)methane; bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate / 2,2,2-trifluoroethanol / 20 h / 40 °C / 30402 Torr / Inert atmosphere; Autoclave

With n-butyllithium; bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; (S)-(-)-[(S)-2-diphenylphosphinoferrocenyl](N,N-dimethylamino)(2-diphenylphosphinophenyl)methane; hydrogen; In tetrahydrofuran; hexane; 2,2,2-trifluoroethanol;
DOI:10.1039/c6ob00540c