Diethyl 3,5-Dimethoxybenzylphosphonate

Base Information

• Chemical Name: Diethyl 3,5-Dimethoxybenzylphosphonate
• CAS No.: 108957-75-1
• Molecular Formula: C13H21 O5 P
• Molecular Weight: 288.28
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID50465908
• Nikkaji Number: J1.577.309J
• Wikidata: Q82292207
• Mol file: 108957-75-1.mol

Synonyms:Diethyl 3,5-Dimethoxybenzylphosphonate;108957-75-1;1-(diethoxyphosphorylmethyl)-3,5-dimethoxybenzene;Phosphonic acid,P-[(3,5-dimethoxyphenyl)methyl]-, diethyl ester;P-[(3,5-Dimethoxyphenyl)methyl]phosphonic Acid Diethyl Ester;SCHEMBL1486664;DTXSID50465908;VYWCMXXBAOVBSJ-UHFFFAOYSA-N;Diethyl3,5-Dimethoxybenzylphosphonate;MFCD18252337;diethyl-(3,5-dimethoxybenzyl)phosphonate;SY309610;diethyl (3,5-dimethoxybenzyl)-phosphonate;CS-0151419;FT-0666761;diethyl [(3,5-dimethoxyphenyl)methyl]phosphonate;J-520292;(3,5-Dimethoxy-benzyl)-phosphonic acid diethyl ester

Chemical Property of Diethyl 3,5-Dimethoxybenzylphosphonate

Chemical Property:

• Boiling Point: 404.2±35.0 °C(Predicted)
• PSA: 63.80000
• Density: 1.123±0.06 g/cm3(Predicted)
• LogP: 3.46990
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 288.11266076
• Heavy Atom Count: 19
• Complexity: 275

Purity/Quality:

98% ^*data from raw suppliers

Diethyl3,5-Dimethoxybenzylphosphonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CC1=CC(=CC(=C1)OC)OC)OCC
• Uses: Diethyl 3,5-Dimethoxybenzylphosphonate (cas# 108957-75-1) is a compound useful in organic synthesis.

Technology Process of Diethyl 3,5-Dimethoxybenzylphosphonate

There total 15 articles about Diethyl 3,5-Dimethoxybenzylphosphonate 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: 100.0%

3,5-dimethoxybenzyl bromide (877-88-3) + triethyl phosphite (122-52-1) → diethyl 3,5-dimethoxybenzylphosphonate (108957-75-1)

Guidance literature:

DOI:10.1016/S0040-4039(00)00892-3

Reference yield: 99.0%

triethyl phosphate (78-40-0) + 3,5-dimethoxybenzyl bromide (877-88-3) → diethyl 3,5-dimethoxybenzylphosphonate (108957-75-1)

Guidance literature:

at 160 ℃; for 4h;

DOI:10.1021/jm201400q

Reference yield: 92.0%

triethyl phosphite (122-52-1) → diethyl 3,5-dimethoxybenzylphosphonate (108957-75-1)

Guidance literature:

at 130 ℃; for 24h;

DOI:10.1016/j.bmc.2004.08.008

upstream raw materials:

3,5-dimethoxybenzyl bromide

triethyl phosphite

3,5-dimethoxybenzylchloride

3,5-dimethoxybenzyl alcohol

Downstream raw materials:

(E)-1-[4-(decyloxy)phenyl]-2-(3,5-dimethoxyphenyl)ethene

(E)-1-[4-(dodecyloxy)phenyl]-2-(3,5-dimethoxyphenyl)ethene

{4-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-phenyl}-bis-(2-hexyl-octyl)-amine

(E)-1-(4'-(methoxymethoxy)styryl)-3,5-dimethoxybenzene

Refernces

• 1、 Privat, Christelle,Telo, Joao Paulo,Bernardes-Genisson, Vania,Vieira, Abel,Souchard, Jean-Pierre,Nepveu, Francoise. "Antioxidant properties of trans-epsilon-viniferin as compared to stilbene derivatives in aqueous and nonaqueous media.". . p. 1213 - 1217. Retrieved 2002.
• 2、 Lee, Iljung,Choe, Yearn Seong,Choi, Joon Young,Lee, Kyung-Han,Kim, Byung-Tae. "Synthesis and evaluation of 18F-labeled styryltriazole and resveratrol derivatives for β-amyloid plaque imaging". . p. 883 - 892. Retrieved 2012.
• 3、 Jungong, Christian S.,Novikov, Alexei V.. "Practical preparation of resveratrol 3-O-β-D-glucuronide". . p. 3589 - 3597,9. Retrieved 2012.
• 4、 Galindo,Hernaez,Berna,Fenoll,Cenis,Escribano,Alonso. "Comparative inhibitory activity of the stilbenes resveratrol and oxyresveratrol on African swine fever virus replication". . p. 57 - 63. Retrieved 2011.
• 5、 Zeng, Dongli,Mi, Qixi,Sun, Hongfang,Wang, Haifang. "A convenient synthesis of 14C-labelled resveratrol". . p. 167 - 174. Retrieved 2004.
• 6、 Harmalkar, Dipesh S.,Lee, Sung-Jin,Lu, Qili,Kim, Mi Il,Park, Jaehyung,Lee, Hwayoung,Park, Minkyung,Lee, Ahrim,Lee, Choongho,Lee, Kyeong. "Identification of novel non-nucleoside vinyl-stilbene analogs as potent norovirus replication inhibitors with a potential host-targeting mechanism". supporting information. . Retrieved 2019/10/09.