Diethyl 4-(diphenylamino)benzylphosphonate

Base Information

• Chemical Name: Diethyl 4-(diphenylamino)benzylphosphonate
• CAS No.: 126150-12-7
• Molecular Formula: C23H26NO3P
• Molecular Weight: 395.438
• DSSTox Substance ID: DTXSID30438756
• Nikkaji Number: J1.953.349B
• Wikidata: Q72461859
• Mol file: 126150-12-7.mol

Synonyms:126150-12-7;Diethyl 4-(diphenylamino)benzylphosphonate;4-(Diethoxyphosphorylmethyl)-N,N-diphenylaniline;Phosphonic acid, P-[[4-(diphenylamino)phenyl]methyl]-, diethyl ester;Phosphonic acid, [[4-(diphenylamino)phenyl]methyl]-, diethyl ester;SCHEMBL9097023;DTXSID30438756;P-[[4-(diphenylamino)phenyl]methyl]Phosphonic acid diethyl ester;SB66759;Diethyl4-(diphenylamino)benzylphosphonate;diethyl 4-(diphenylamino)benzyl-phosphonate;FT-0720618;A889646;4-(Diphenylamino)benzylphosphonic acid diethyl ester;Diethyl {[4-(diphenylamino)phenyl]methyl}phosphonate;(4-DiphenylaMino-benzyl)-phosphonic acid diethyl ester

Chemical Property of Diethyl 4-(diphenylamino)benzylphosphonate

Chemical Property:

• Melting Point: 82-84 oC
• PSA: 48.58000
• Density: 1.163±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 6.92250
• Storage Temp.: 2-8°C
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 395.16503069
• Heavy Atom Count: 28
• Complexity: 452

Purity/Quality:

98%min ^*data from raw suppliers

Diethyl 4-(diphenylamino)benzylphosphonate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3)OCC

Technology Process of Diethyl 4-(diphenylamino)benzylphosphonate

There total 6 articles about Diethyl 4-(diphenylamino)benzylphosphonate 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: 93.9%

[4-(diphenylamino)phenyl]methanol (25069-40-3) + triethyl phosphite (122-52-1) → Diethyl (4-diphenylamino)benzyl phosphonate (126150-12-7)

Guidance literature:

With iodine; at 0 - 20 ℃;

Reference yield: 93.0%

[4-(diphenylamino)phenyl]methanol (25069-40-3) → Diethyl (4-diphenylamino)benzyl phosphonate (126150-12-7)

Guidance literature:

With bromine; triphenylphosphine; triethyl phosphite; In diethyl ether; toluene;

Reference yield:

4-(N,N-diphenylamino)benzyl bromide (183994-94-7) + triethyl phosphite (122-52-1) → Diethyl (4-diphenylamino)benzyl phosphonate (126150-12-7)

Guidance literature:

at 150 ℃; for 4h;

upstream raw materials:

[4-(diphenylamino)phenyl]methanol

triethyl phosphite

N,N-diphenylaminobenzene

4-(diphenylamino)benzaldehyde

Downstream raw materials:

5-(3,5-di-tert-butylphenyl)-11-(4-diphenylaminostyryl)-1,1,3,3-tetraethylindeno[2,1-b]fluorene

2 (3,5-di-tert-butylphenyl)-8-(4-diphenylaminostyryl)-6,6,12,12-tetraethylindeno[1,2-b]fluorene

2-(3,5-di-tert-butylphenyl)-8-(4-diphenylaminostyryl)-2',2'',7',7''-tetra-tert-butyl-dispiro(fluorene-9',6-indeno[1,2-b]fluorene-12,9''-fluorene)

2-(4-diphenylaminostyryl)-2',7'-di-tert-butyl-9,9'-spirobifluorene

Refernces

• 1、 Ah, Chil Seong,Song, Juhee,Cho, Seong Mok,Kim, Tae-Youb,Ryu, Hojun,Cheon, Sanghoon,Kim, Joo Yeon,Hwang, Chi-Sun,Kim, Yong-Hae. "Optical and electrical properties of electrochromic devices depending on electrolyte concentrations and cell gaps". . p. 1812 - 1819. Retrieved 2016.
• 2、 -. "D-D-pi-A structured photosensitive dye using carbazole and triphenylamine as two-stage electron donors, and preparation method and application thereof". Paragraph 0163; 0166; 0173; 0174. . Retrieved 2018/11/03.