P,P-diethyl trans-4-phosphono-2-butenoate

Base Information

• Chemical Name: P,P-diethyl trans-4-phosphono-2-butenoate
• CAS No.: 79563-56-7
• Molecular Formula: C8H15 O5 P
• Molecular Weight: 222.178
• Mol file: 79563-56-7.mol

Synonyms:2-Butenoicacid, 4-(diethoxyphosphinyl)-, (E)-; Diethyl(trans-3-carboxy-2-propenyl)phosphonate

Chemical Property of P,P-diethyl trans-4-phosphono-2-butenoate

Chemical Property:

• Boiling Point: 160 °C (0.652552 mmHg)
• PSA: 82.64000
• LogP: 1.89330

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of P,P-diethyl trans-4-phosphono-2-butenoate

There total 5 articles about P,P-diethyl trans-4-phosphono-2-butenoate 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%

ethyl (2E)-4-(diethoxyphosphoryl)crotonate (42516-28-9) → (E)-diethyl 4-oxo-4-(piperidin-1-yl)but2-enylphosphoric acid (79563-56-7)

Guidance literature:

With sodium hydroxide; for 1h; Ambient temperature;

Reference yield: 89.0%

methyl 4-(diethylphosphono)crotonate (67629-62-3) → (E)-diethyl 4-oxo-4-(piperidin-1-yl)but2-enylphosphoric acid (79563-56-7)

Guidance literature:

With lithium hydroxide; In methanol; water; at 20 ℃; for 0.666667h;

Reference yield: 68.0%

4-bromocrotonic acid (13991-36-1) + triethyl phosphite (122-52-1) → (E)-diethyl 4-oxo-4-(piperidin-1-yl)but2-enylphosphoric acid (79563-56-7)

Guidance literature:

In toluene; Reflux;

DOI:10.1016/j.molstruc.2022.132453

upstream raw materials:

ethyl (2E)-4-(diethoxyphosphoryl)crotonate

Diethyl allylphosphonate

carbon dioxide

methyl 4-(diethylphosphono)crotonate

Downstream raw materials:

{(E)-3-[[(E)-(1S,7S)-9-[(3S,5R)-5-((Z)-3-Hydroxy-2-methyl-propenyl)-2,3-dimethoxy-cyclopent-1-enyl]-7-(4-methoxy-benzyloxy)-9-oxo-1-phenyl-non-3-enyl]-(4-methoxy-benzyl)-carbamoyl]-allyl}-phosphonic acid diethyl ester

{(E)-3-[[(E)-(1S,7S)-9-[(3S,5R)-2,3-Dimethoxy-5-((Z)-2-methyl-3-oxo-propenyl)-cyclopent-1-enyl]-7-(4-methoxy-benzyloxy)-9-oxo-1-phenyl-non-3-enyl]-(4-methoxy-benzyl)-carbamoyl]-allyl}-phosphonic acid diethyl ester

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