Phosphonic acid, [amino(4-chlorophenyl)methyl]-, diethyl ester, (S)-

Base Information

• Chemical Name: Phosphonic acid, [amino(4-chlorophenyl)methyl]-, diethyl ester, (S)-
• CAS No.: 110480-88-1
• Molecular Formula: C₁₁H₁₇ClNO₃P
• Molecular Weight: 277.688
• DSSTox Substance ID: DTXSID701159380

Synonyms:DTXSID701159380;Phosphonic acid, [amino(4-chlorophenyl)methyl]-, diethyl ester, (S)-;110480-88-1

Chemical Property of Phosphonic acid, [amino(4-chlorophenyl)methyl]-, diethyl ester, (S)-

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 277.0634581
• Heavy Atom Count: 17
• Complexity: 259

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Phosphonic acid, [amino(4-chlorophenyl)methyl]-, diethyl ester, (S)-

There total 10 articles about Phosphonic acid, [amino(4-chlorophenyl)methyl]-, diethyl ester, (S)- 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: 93.0%

4-chlorobenzaldehyde (104-88-1) + phosphonic acid diethyl ester (762-04-9) → diethyl 1-amino(p-chlorophenyl)methylphosphonate (110480-88-1,110480-89-2,111408-39-0,112564-58-6)

Guidance literature:

With aluminium(III) triflate; 1,1,1,3,3,3-hexamethyl-disilazane; at 80 ℃; for 1.5h; Solvent-free conditions;

DOI:10.1002/hc.20517

Reference yield: 59.0%

Diethyl phosphonate (762-04-9,123-22-8) + 4-chlorobenzaldehyde (104-88-1) → diethyl 1-amino(p-chlorophenyl)methylphosphonate (110480-88-1,110480-89-2,111408-39-0,112564-58-6)

Guidance literature:

Diethyl phosphonate; 4-chlorobenzaldehyde; With ammonium acetate; at 60 - 80 ℃; for 12h;

With hydrogenchloride; In diethyl ether; for 2h; Cooling with ice;

DOI:10.2174/1570180812666141125004502

Reference yield:

((4-Chloro-phenyl)-{[1-(4-chloro-phenyl)-meth-(E)-ylidene]-amino}-methyl)-phosphonic acid diethyl ester (871315-39-8) → diethyl 1-amino(p-chlorophenyl)methylphosphonate (110480-88-1,110480-89-2,111408-39-0,112564-58-6)

Guidance literature:

With ammonia; toluene-4-sulfonic acid; In diethyl ether; for 2.5h; Yield given;

DOI:10.1016/S0040-4039(97)00396-1

upstream raw materials:

((4-Chloro-phenyl)-{[1-(4-chloro-phenyl)-meth-(E)-ylidene]-amino}-methyl)-phosphonic acid diethyl ester

4-chlorobenzaldehyde

phosphonic acid diethyl ester

Diethyl phosphonate

Downstream raw materials:

(4-chloro-benzoyl)-phosphonic acid diethyl ester

C₁₅H₁₉ClN₃O₄PS

C₂₅H₂₉ClN₃O₈P

O,O'-diethyl α-(thiazolo[5,4-b]pyridin-2-ylamino)(4-chlorophenyl)methylphosphonate

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