ETHYL 1,4-BENZODIOXAN-2-CARBOXYLATE

Base Information

• Chemical Name: ETHYL 1,4-BENZODIOXAN-2-CARBOXYLATE
• CAS No.: 4739-94-0
• Molecular Formula: C11H12O4
• Molecular Weight: 208.214
• Hs Code.: 2932999099
• Mol file: 4739-94-0.mol

Synonyms:1,4-Benzodioxan-2-carboxylicacid, ethyl ester (7CI,8CI);2,3-Dihydro-1,4-benzodioxin-2-carboxylic acidethyl ester;Ethyl 1,4-benzodioxan-2-carboxylate;Ethyl1,4-benzodioxane-2-carboxylate;Ethyl 2,3-dihydro-1,4-benzodioxin-2-carboxylate;

Chemical Property of ETHYL 1,4-BENZODIOXAN-2-CARBOXYLATE

Chemical Property:

• Vapor Pressure: 0.00252mmHg at 25°C
• Refractive Index: n20/D 1.523
• Boiling Point: 287.2 °C at 760 mmHg
• Flash Point: 123.6 °C
• PSA: 44.76000
• Density: 1.208
• LogP: 1.38950
• Storage Temp.: Inert atmosphere,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dihydro-1,4-benzodioxin-2-carboxylicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2,3-Dihydro-1,4-benzodioxin-2-carboxylic Acid Ethyl Ester is an intermediate used to prepare presynaptic α2-adrenoreceptor antagonists and potential antidepressants. It is also used to prepare aminoalkylbenzodioxins as calcium antagonists.

Technology Process of ETHYL 1,4-BENZODIOXAN-2-CARBOXYLATE

There total 7 articles about ETHYL 1,4-BENZODIOXAN-2-CARBOXYLATE 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: 92.0%

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) + 2,3-dibromopropionic acid ethyl ester (3674-13-3) → ethyl 2,3-dihydro-1,4-benzodioxin-2-carboxylate (4739-94-0)

Guidance literature:

With potassium carbonate; In acetone; for 5.5h; Heating;

DOI:10.1016/S0957-4166(01)00368-8

Reference yield: 85.0%

→ ethyl 2,3-dihydro-1,4-benzodioxin-2-carboxylate (4739-94-0)

Guidance literature:

Reference yield:

ethanol (64-17-5) + 1,4-benzodioxane-2-carboxylic acid (3663-80-7,34385-93-8,70918-53-5,70918-54-6) → ethyl 2,3-dihydro-1,4-benzodioxin-2-carboxylate (4739-94-0)

Guidance literature:

With sulfuric acid; hydrazine hydrate; at 80 ℃; for 5h;

DOI:10.1016/j.bmc.2012.08.043

upstream raw materials:

benzene-1,2-diol

2,3-dibromopropionic acid ethyl ester

ethyl acrylate

ethanol

Downstream raw materials:

N-(2,3-dihydrobenzo<1,4>dioxin-2-carbonyl)-N'-(2-hydroxyethyl)piperazine

3-methylene-2,3-dihydro-1,4-benzodioxin-2(3H)-one

N,N-pentamethylene-2,3-dihydro-1,4-benzodioxin-2-carboxamide

2-(2,4-dichloro-phenyl)-5-(2,3-dihydro-1,4-benzodioxane-2-yl)-1,3,4-oxadiazole

Refernces

• 1、 Linciano, Pasquale,Benedetti, Rosaria,Pinzi, Luca,Russo, Fabiana,Chianese, Ugo,Sorbi, Claudia,Altucci, Lucia,Rastelli, Giulio,Brasili, Livio,Franchini, Silvia. "Investigation of the effect of different linker chemotypes on the inhibition of histone deacetylases (HDACs)". . . Retrieved 2020/11/24.
• 2、 Staroń, Jakub,Warszycki, Dawid,Kurczab, Rafa?,Sata?a, Grzegorz,Bugno, Ryszard,Hogendorf, Adam,Bojarski, Andrzej J.. "Halogen bonding enhances activity in a series of dual 5-HT6/D2 ligands designed in a hybrid bioisostere generation/virtual screening protocol". . p. 54918 - 54925. Retrieved 2016/07/06.