Ethyl 3-(2H-1,3-benzodioxol-5-yl)benzoate

Base Information

Chemical Name:Ethyl 3-(2H-1,3-benzodioxol-5-yl)benzoate
CAS No.:24351-55-1
Molecular Formula:C16H14O4
Molecular Weight:270.285
Hs Code.:2932999099
DSSTox Substance ID:DTXSID20696565
Wikidata:Q82626224
Mol file:24351-55-1.mol

Synonyms:24351-55-1;DTXSID20696565;Ethyl 3-(2H-1,3-benzodioxol-5-yl)benzoate;ETHYL 3-BENZO[1,3]DIOXOL-5-YL-BENZOATE

Suppliers and Price of Ethyl 3-(2H-1,3-benzodioxol-5-yl)benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
3-BENZO[1,3]DIOXOL-5-YL-BENZOIC ACID ETHYL ESTER 95.00%
500MG
$ 806.48

Total 5 raw suppliers

Chemical Property of Ethyl 3-(2H-1,3-benzodioxol-5-yl)benzoate

Chemical Property:

PSA：44.76000
LogP:3.25900
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:270.08920892
Heavy Atom Count:20
Complexity:343

Purity/Quality:

99% ^*data from raw suppliers

3-BENZO[1,3]DIOXOL-5-YL-BENZOIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)OCO3

Technology Process of Ethyl 3-(2H-1,3-benzodioxol-5-yl)benzoate

There total 4 articles about Ethyl 3-(2H-1,3-benzodioxol-5-yl)benzoate 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: 76.0%

: 2635-13-4
1,2-(methylenedioxy)-4-bromobenzene

: 4334-87-6
[3-(ethoxycarbonyl)phenyl]boronic acid

: 24351-55-1
ethyl 3-(3',4'-methylenedioxyphenyl)benzoate

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,4-dioxane; water; at 80 ℃; for 16h; Inert atmosphere;

Reference yield: 60.0%

: 2635-13-4
1,2-(methylenedioxy)-4-bromobenzene

: 1006714-38-0
ethyl 3-(((trifluoromethyl)sulfonyl)oxy)benzoate

: 24351-55-1
ethyl 3-(3',4'-methylenedioxyphenyl)benzoate

Guidance literature:: 1,2-(methylenedioxy)-4-bromobenzene; With tert.-butyl lithium; In tetrahydrofuran; at -78 ℃; for 0.25h; Inert atmosphere;

With zinc(II) chloride; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

ethyl 3-(((trifluoromethyl)sulfonyl)oxy)benzoate; With bis(acetylacetonate)nickel(II); methylmagnesium bromide; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 20h; Inert atmosphere;
DOI:10.1055/s-0037-1611053

Reference yield:

: 7781-98-8
ethyl-3-hydroxybenzoate

: 24351-55-1
ethyl 3-(3',4'-methylenedioxyphenyl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1.1: pyridine / dichloromethane / 2 h / 0 °C / Inert atmosphere

2.1: tert.-butyl lithium / tetrahydrofuran / 0.25 h / -78 °C / Inert atmosphere

2.2: -78 - 20 °C / Inert atmosphere

2.3: 20 h / 20 °C / Inert atmosphere

With pyridine; tert.-butyl lithium; In tetrahydrofuran; dichloromethane; 2.3: |Negishi Coupling;
DOI:10.1055/s-0037-1611053