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

Base Information

• Chemical Name: Phosphonic acid, [amino(4-methylphenyl)methyl]-, diethyl ester
• CAS No.: 112579-84-7
• Molecular Formula: C12H20NO3P
• Molecular Weight: 257.269
• DSSTox Substance ID: DTXSID60477330
• Nikkaji Number: J820.304K

Synonyms:112579-84-7;Phosphonic acid, [amino(4-methylphenyl)methyl]-, diethyl ester;DTXSID60477330

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

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 257.11808050
• Heavy Atom Count: 17
• Complexity: 255

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(C(C1=CC=C(C=C1)C)N)OCC

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

There total 9 articles about Phosphonic acid, [amino(4-methylphenyl)methyl]-, 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: 86.0%

4-methyl-benzaldehyde (104-87-0) + phosphonic acid diethyl ester (762-04-9) → diethyl [amino(4-methylphenyl)methyl]phosphonate (112579-84-7)

Guidance literature:

With aluminium(III) triflate; 1,1,1,3,3,3-hexamethyl-disilazane; at 80 ℃; for 2h; Solvent-free conditions;

DOI:10.1002/hc.20517

Reference yield: 78.4%

diethyl (benzylamino)(p-tolyl)methylphosphonate (135473-50-6) → diethyl [amino(4-methylphenyl)methyl]phosphonate (112579-84-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 20 - 25 ℃; for 30h; under 760 Torr;

Reference yield:

(p-Tolyl-{[1-p-tolyl-meth-(E)-ylidene]-amino}-methyl)-phosphonic acid diethyl ester (871315-36-5) → diethyl [amino(4-methylphenyl)methyl]phosphonate (112579-84-7)

Guidance literature:

With ammonia; toluene-4-sulfonic acid; In diethyl ether; for 0.5h; Yield given;

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

upstream raw materials:

benzyl (diethoxyphosphoryl)(p-tolyl)methylcarbamate

diethyl (benzylamino)(p-tolyl)methylphosphonate

(p-Tolyl-{[1-p-tolyl-meth-(E)-ylidene]-amino}-methyl)-phosphonic acid diethyl ester

4-methyl-benzaldehyde

Downstream raw materials:

[(2-tert-Butoxycarbonylamino-acetylamino)-p-tolyl-methyl]-phosphonic acid diethyl ester

[(2-tert-Butoxycarbonylamino-4-methyl-pentanoylamino)-p-tolyl-methyl]-phosphonic acid diethyl ester

[(2-Benzyloxycarbonylamino-acetylamino)-p-tolyl-methyl]-phosphonic acid diethyl ester

diethyl (4-methylbenzoyl)phosphonate

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