Ethyl 3-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxylate

Base Information

• Chemical Name: Ethyl 3-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxylate
• CAS No.: 67770-59-6
• Molecular Formula: C12H14O4
• Molecular Weight: 222.2372
• NSC Number: 91517
• DSSTox Substance ID: DTXSID40293691
• Mol file: 67770-59-6.mol

Synonyms:67770-59-6;ethyl 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate;ethyl 3-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxylate;NSC91517;SCHEMBL11494621;DTXSID40293691;NSC-91517;A835954;3-Methyl-1,4-benzodioxan-2-carboxylic acid, ethyl ester;2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid ethyl ester

Chemical Property of Ethyl 3-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.00153mmHg at 25°C
• Boiling Point: 295.4°Cat760mmHg
• Flash Point: 126.7°C
• Density: 1.154g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 253

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1C(OC2=CC=CC=C2O1)C

Technology Process of Ethyl 3-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxylate

There total 2 articles about Ethyl 3-methyl-2,3-dihydro-1,4-benzodioxine-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:

ethyl 2,3-dibromobutyrate (609-11-0) + benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 3-methyl-2,3-dihydro-benzo[1,4]dioxin-2-carboxylic acid ethyl ester (67770-59-6)

Guidance literature:

With potassium carbonate; acetone;

DOI:10.1021/jo01061a017

Reference yield:

→ 3-methyl-2,3-dihydro-benzo[1,4]dioxin-2-carboxylic acid ethyl ester (67770-59-6)

Guidance literature:

Brenzcatechin in trockenem Aceton, 2,3-Dibrombuttersaeure-aethylester bei Ggw. v. K2CO3 (15 Std.);

DOI:10.1021/jo01061a017

Reference yield:

ethyl 2,3-dihydro-3-methyl-1,4-benzodioxin-2-carboxylate (51263-58-2,51263-59-3,67770-59-6) → 3-ethylidene-1,4-benzodioxin-2(3H)-one (51263-62-8) + 2-(2-hydroxyphenoxy)-2-butenoic acid (56913-19-0)

Guidance literature:

With sodium hydride; In dimethyl sulfoxide; for 0.25h;

DOI:10.1016/S0040-4020(01)87297-5

upstream raw materials:

ethyl 2,3-dibromobutyrate

benzene-1,2-diol

Downstream raw materials:

3-Methyl-1,4-benzodioxan-carbonsaeure-(2)

3-ethylidene-1,4-benzodioxin-2(3H)-one

2-(2-hydroxyphenoxy)-2-butenoic acid

methyl 2-(2-methoxyphenoxy)-2-butenoate