Diethyl (1-trityl-1H-imidazol-4-yl)methylphosphonate

Base Information

• Chemical Name: Diethyl (1-trityl-1H-imidazol-4-yl)methylphosphonate
• CAS No.: 473659-21-1
• Molecular Formula: C27H29N2O3P
• Molecular Weight: 460.513
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID50376787
• Nikkaji Number: J1.773.467I
• Wikidata: Q82165706
• Mol file: 473659-21-1.mol

Synonyms:Diethyl (1-trityl-1H-imidazol-4-yl)methylphosphonate;473659-21-1;4-(diethoxyphosphorylmethyl)-1-tritylimidazole;Diethyl ((1-trityl-1H-imidazol-4-yl)methyl)phosphonate;Diethyl {[1-(triphenylmethyl)-1H-imidazol-4-yl]methyl}phosphonate;Diethyl [(1-trityl-1H-imidazol-4-yl)methyl]phosphonate;SCHEMBL222974;C27H29N2O3P;DTXSID50376787;FNSMDCRPGWSMDB-UHFFFAOYSA-N;YTA65921;MFCD06660114;AKOS015839052;PS-10974;CS-0308664;FT-0685136;EN300-1267394;4-Diethylphosphonomethyl-1-triphenylmethylimidazole;A872176;Diethyl(1-trityl-1H-imidazol-4-yl)methylphosphonate;J-520258;diethyl(1-triphenylmethylimidazol-4-yl)methylphosphonate;(1-trityl-1H-imidazol-4-ylmethyl)-phosphonic acid diethyl ester;(1-Trityl-1H-imidazole-4-ylmethyl)phosphonic acid diethyl ester;Diethyl (1-trityl-1H-imidazol-4-yl)methylphosphonate, AldrichCPR

Chemical Property of Diethyl (1-trityl-1H-imidazol-4-yl)methylphosphonate

Chemical Property:

• Vapor Pressure: 1.93E-13mmHg at 25°C
• Boiling Point: 593.7oC at 760 mmHg
• Flash Point: 312.9oC
• PSA: 63.16000
• Density: 1.14g/cm3
• LogP: 6.48940
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 460.19157979
• Heavy Atom Count: 33
• Complexity: 571

Purity/Quality:

97% ^*data from raw suppliers

Diethyl (1-trityl-1H-imidazol-4-yl)methylphosphonate Aldrich ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCC

Technology Process of Diethyl (1-trityl-1H-imidazol-4-yl)methylphosphonate

There total 5 articles about Diethyl (1-trityl-1H-imidazol-4-yl)methylphosphonate 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-chloromethyl-1-tritylimidazole (103057-10-9) + phosphonic acid diethyl ester (762-04-9) → diethyl (1-tritylimidazol-4-yl)methylphosphonate (473659-21-1)

Guidance literature:

phosphonic acid diethyl ester; With lithium hexamethyldisilazane; In tetrahydrofuran; at -70 ℃;

4-chloromethyl-1-tritylimidazole; In tetrahydrofuran; at -70 - 25 ℃;

DOI:10.1055/s-2002-31951

Reference yield: 14.0%

4-chloromethyl-1-tritylimidazole (103057-10-9) + triethyl phosphite (122-52-1) → diethyl (1-tritylimidazol-4-yl)methylphosphonate (473659-21-1)

Guidance literature:

In N,N-dimethyl-formamide; at 80 ℃; for 16h; Under argon;

Reference yield:

4-chloromethyl-1-tritylimidazole (103057-10-9) → diethyl (1-tritylimidazol-4-yl)methylphosphonate (473659-21-1)

Guidance literature:

With sodium iodide; triethyl phosphite; In acetonitrile;

upstream raw materials:

4-chloromethyl-1-tritylimidazole

phosphonic acid diethyl ester

triethyl phosphite

trityl chloride

Downstream raw materials:

4-(2-thiophen-2-yl-vinyl)-1-trityl-1H-imidazole

4-(4-phenyl-but-1-enyl)-1-trityl-1H-imidazole

4-{(Z)-2-[(2R,5R)-5-tert-butyldiphenylsiloxymethyl-tetrahydrofuran-2-yl]vinyl}-1-tritylimidazole

4-{(E)-2-[(2R,5R)-5-tert-butyldiphenylsiloxymethyl-tetrahydrofuran-2-yl]vinyl}-1-tritylimidazole