| Identification | More | [Name]
ETHYL 1,4-BENZODIOXAN-2-CARBOXYLATE | [CAS]
4739-94-0 | [Synonyms]
TIMTEC-BB SBB008613
Doxazosin Impurity 2
Doxazosin Impurity 16
2,3-Dihydro-2-Carboethoxy-1,4-
ETHYL 1,4-BENZODIOXAN-2-CARBOXYLATE
ETHYL 1,4-BENZODIOXANE-2-CARBOXYLATE
Ethyl1,4-Benzodioxane-2-carboxylate>
2,3-Dihydro-2-carboethoxy-1, 4-benzodioxane
1,4-BENZODIOXAN-2-CARBOXYLIC ACID ETHYL ESTER
1,4-Benzodioxane-2-carboxylic Acid Ethyl Ester
ETHYL 2,3-DIHYDRO-1,4-BENZODIOXIN-2-CARBOXYLATE
Ethyl 2,3-dihydrobenzo[1,4]dioxine-2-carboxylate
Ethyl 2,3-Dihydro-1,4-Benzodioxine-2-Carboxylate
Ethyl 2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylate
2,3-DIHYDRO-BENZO[1,4]DIOXINE-2-CARBOXYLIC ACID ETHYL ESTER
ethyl 3-(cyclohexa-1,3-dien-1-yl)-1,4-dioxine-2-carboxylate
1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, ethyl ester
2,3,4a,8a-tetrahydro-1,4-benzodioxin-3-carboxylic acid ethyl ester
1,4-Benzodioxan-2-carboxylic acid, ethyl ester, Ethyl 2,3-dihydro-1,4-benzodioxin-2-carboxylate | [Molecular Formula]
C11H12O4 | [MDL Number]
MFCD01099774 | [Molecular Weight]
208.21 | [MOL File]
4739-94-0.mol |
| Chemical Properties | Back Directory | [Boiling point ]
88-95 °C/0.3 mmHg (lit.) | [density ]
1.208 g/mL at 25 °C
| [refractive index ]
n20/D 1.523
| [Fp ]
>230 °F
| [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
clear liquid | [color ]
Colorless to Yellow to Orange | [InChI]
InChI=1S/C11H12O4/c1-2-13-11(12)10-7-14-8-5-3-4-6-9(8)15-10/h3-6,10H,2,7H2,1H3 | [InChIKey]
DDIGEMWIKJMEIU-UHFFFAOYSA-N | [SMILES]
O1C2=CC=CC=C2OCC1C(OCC)=O | [CAS DataBase Reference]
4739-94-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302 | [Precautionary statements ]
P280-P305+P351+P338 | [Hazard Codes ]
Xn | [Risk Statements ]
R22:Harmful if swallowed. | [WGK Germany ]
2
| [REACH Registrations]
Active | [HazardClass ]
IRRITANT | [HS Code ]
2916399090 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [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. | [Synthesis Reference(s)]
Journal of the American Chemical Society, 77, p. 5373, 1955 DOI: 10.1021/ja01625a050 | [Synthesis]
GENERAL METHOD: A mixture of 12 g (0.11 mol) of catechol, 17.9 g (0.1 mol) of ethyl 2,3-dibromopropionate, and 41.4 g (0.3 mol) of anhydrous K2CO3 was refluxed for 18 hours in 200 mL of anhydrous acetone. Upon completion of the reaction, acetone was removed by distillation under reduced pressure and the residue was dissolved in dichloromethane. The organic phase was washed sequentially with water, 5% NaOH solution, 5% HCl solution and saturated NaCl solution and finally dried with anhydrous Na2SO4. After evaporating the solvent under reduced pressure, the residue was distilled to give 15.4 g (74% yield) of ethyl 1,4-benzodioxane-2-carboxylate. | [References]
[1] Sangita M. Kasture. “Novel enzymatic route for kinetic resolution of (±)1,4-benzodioxan-2-carboxylic acid.” Biochemical Engineering Journal 27 1 (2005): Pages 66-71.
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