Diethyl (thiophen-2-ylmethyl)phosphonate

Base Information

• Chemical Name: Diethyl (thiophen-2-ylmethyl)phosphonate
• CAS No.: 2026-42-8
• Molecular Formula: C9H15O3PS
• Molecular Weight: 234.256
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90400474
• Nikkaji Number: J811.647D
• Wikidata: Q72462225
• Mol file: 2026-42-8.mol

Synonyms:2026-42-8;Diethyl (thiophen-2-ylmethyl)phosphonate;diethyl (2-thienylmethyl)phosphonate;2-(diethoxyphosphorylmethyl)thiophene;Phosphonic acid, P-(2-thienylmethyl)-, diethyl ester;Diethyl 2-thienylmethylphosphonate;Phosphonic acid, (2-thienylmethyl)-, diethyl ester;Diethyl [(thiophen-2-yl)methyl]phosphonate;Thiophen-2-ylmethyl-phosphonic acid diethyl ester;Diethyl(thiophen-2-ylmethyl)phosphonate;C9H15O3PS;SCHEMBL5884907;DTXSID90400474;GOJBUVQDOFHBLF-UHFFFAOYSA-N;2-(Diethoxyphosphinylmethyl)thiophene;MFCD00128457;AKOS015839004;diethyl thio phen-2-ylmethyl phosphonate;AS-68988;2-Thienylmethylphosphonic acid diethyl ester;CS-0040427;D5644;FT-0751217;T72043;thiophen-2-ylmethylphosphonic acid diethyl ester;A904701

Chemical Property of Diethyl (thiophen-2-ylmethyl)phosphonate

Chemical Property:

• Vapor Pressure: 0.000428mmHg at 25°C
• Refractive Index: 1.501
• Boiling Point: 325.7 °C at 760 mmHg
• Flash Point: 150.8 °C
• PSA: 73.58000
• Density: 1.182 g/cm³
• LogP: 3.51420
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 234.04795251
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

Diethyl (Thiophen-2-ylmethyl)phosphonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CC1=CC=CS1)OCC

Technology Process of Diethyl (thiophen-2-ylmethyl)phosphonate

There total 1 articles about Diethyl (thiophen-2-ylmethyl)phosphonate 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: 95.0%

2-thenyl bromide (45438-73-1) + triethyl phosphite (122-52-1) → diethyl thien-2-ylmethylphosphonate (2026-42-8)

Guidance literature:

at 125 ℃; for 4h; Inert atmosphere;

DOI:10.1039/c0ob00482k

Reference yield: 98.0%

diethyl thien-2-ylmethylphosphonate (2026-42-8) + C17H27NO3 (1190878-64-8) → C22H31NO2S (1190883-58-9)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 0 - 20 ℃;

Reference yield: 97.0%

diethyl thien-2-ylmethylphosphonate (2026-42-8) + 4-[bis(4-methoxyphenyl)amino]benzaldehyde (89115-20-8) → C26H23NO2S (700371-26-2)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 0 - 20 ℃; for 5h; Inert atmosphere;

DOI:10.1021/ja8007424

upstream raw materials:

2-thenyl bromide

triethyl phosphite

Downstream raw materials:

(Z)-1,2-bis(thiophene-2-yl)ethene

(E)-1,2-bis(2-thienyl)ethene

N,N-diethyl-4-((1E)-2-(5-((E)-2-(thien-2-yl)vinyl)thien-2-yl)vinyl)aniline

2-(p-methylstyryl)thiophene

Refernces

• 1、 González-Lainez,Jiménez-Ruiz,Martínez De Baroja,Garín,Orduna,Villacampa,Blesa. "Using functionalized nonlinear optical chromophores to prepare NLO-active polycarbonate films". . p. 30 - 40. Retrieved 2015/04/14.
• 2、 Cho, You Jin,Kim, Mi Sung,Lee, Ju-Yeon. "Synthesis and nonlinear optical properties of novel T-type polyurethane containing tricyanovinylthiophene". scheme or table. p. 442 - 448. Retrieved 2011/12/01.