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

Basic Information

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CAS Number

4739-94-0

Molecular Formula

C11H12O4

Molecular Weight

208.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

115°C/0.2mmHg

Flash Point

110 ºC

Refractive Index

1.523

SMILES

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CCOC(=O)C1COC2=CC=CC=C2O1

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

LogP

1.3895

Topological Polar Surface Area

44.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

229

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1,4-Benzodioxan-2-carboxylic acid, ethyl ester
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acidethyl ester
ethyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
1,4-Benzodioxin-2,3-dihydro-2-carboxylic acid ethyl ester
AKOS000116644
AS-5301
4739-94-0
2,3-dihydro-[1,4]benzodioxine-2-carboxylic acid ethyl ester
1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, ethyl ester
AI3-26022
AKOS016843285
J-521294
MFCD01099774
FT-0650156
1,4-Benzodioxan-2-carboxylic acid ethyl ester
Ethyl2,3-dihydrobenzo[1,4]dioxine-2-carboxylate
E0902
ethyl 2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylate
DTXSID80963821
CS-0151626
SY014493
1,4-Benzodioxane-2-carboxylic Acid Ethyl Ester
Ethyl 2,3-dihydro-1,4-benzodioxin-2-carboxylate
DDIGEMWIKJMEIU-UHFFFAOYSA-N
Ethyl1,4-Benzodioxan-2-carboxylate
Ethyl 1,4-benzodioxane-2-carboxylate
ethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
2,3-Dihydro-1,4-benzodioxin-2-carboxylic acid ethyl ester
SCHEMBL612174
AM20050071
Ethyl 2,3-dihydrobenzo[1,4]dioxine-2-carboxylate

MDL Number

MFCD01099774

Customs Code

2932999099

FAQ

What are the physical and chemical properties of Ethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate (CAS: 4739-94-0)?

Ethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate (CAS: 4739-94-0) is a white crystalline solid with a molecular weight of approximately 202.23 g/mol. It has a moderate solubility in common organic solvents such as ethanol and acetone. This compound is known for its reactivity in esterification and nucleophilic substitution reactions. It is often used in the synthesis of various bioactive compounds and pharmaceuticals.

How is Ethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate (CAS: 4739-94-0) typically synthesized?

Ethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate (CAS: 4739-94-0) is typically synthesized through the condensation of ethyl acetate with 2,3-dihydro-1,4-benzodioxine in the presence of a base such as potassium carbonate. The reaction is usually carried out in an organic solvent like dimethylformamide (DMF). The process yields a high percentage of the desired product with good selectivity.

What industries use Ethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate (CAS: 4739-94-0)?

Ethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate (CAS: 4739-94-0) is primarily used in the pharmaceutical and chemical industries. It serves as a precursor in the synthesis of various bioactive compounds and drugs. Additionally, it finds applications in the polymer and sensor industries for its structural and functional properties.

What precautions should be taken when handling Ethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate (CAS: 4739-94-0)?

When handling Ethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate (CAS: 4739-94-0), it is important to use appropriate personal protective equipment (PPE), including gloves and safety glasses. It should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of a spill, ensure proper ventilation and clean up using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed information on handling and disposal procedures.