2-Ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate

Basic Information

View in Editor

CAS Number

26225-79-6

Molecular Formula

C13H18O5S

Molecular Weight

286.35 g/mol

Basic Physical Properties

Melting Point

70-72°

Boiling Point

364.85°C

Refractive Index

1.5060 (estimate)

SMILES

View in Editor

CCOC1C(c2cc(ccc2O1)OS(=O)(=O)C)(C)C

InChI

InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3

InChIKey

IRCMYGHHKLLGHV-UHFFFAOYSA-N

LogP

2.0576

Topological Polar Surface Area

61.830000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

411

Safety Information

View Safety Information

GHS Hazard Pictograms

H411

Hazard Statement

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Toxicity

LD50 orally in rats: 1130 mg/kg (PB85-143766)

Synonyms & References

English

Ethofumesate
2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranyl methanesulfonate
2-ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranyl methanesulfonate, (+-)-
RUBETRAM(R)
NORTRON
NORTRON(R)
PROGRASS
PROGRASS(R)
TRAMAT
TRAMAT(R)
Ethofumesate Solution
(RS)-2-ethoxy-2,3-dihydro-3,3-dimethylbenzofuran-5-yl methanesulfonate
2,3-dihydro-3,3-dimethyl-2-ethoxybenzofuran-5-yl methanesulphonate
2-ethoxy-2,3-dihydro-3,3-dimethylbenzofuran-5-yl methanesulfonate
2-ethoxy-2,3-dihydro-3,3-dimethylbenzofuran-5-yl methanesulphonate
Caswell No. 427BB
Ethofumesat
ETHOSAT
ETHOSIN
NC 8438
Norton
Nortran
rac-(2R)-2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl me
(2-Ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate
2-ethoxy-3,3-dimethyl-2,3-dihydrobenzofuran-5-yl methanesulfonate

MDL Number

MFCD00055321

Customs Code

2932999015

FAQ

What are the physical and chemical properties of 2-Ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate (CAS: 26225-79-6)?

2-Ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate is a colorless crystalline solid with a molecular weight of approximately 345.4 g/mol. It has a low solubility in water but is soluble in common organic solvents. This compound is less reactive but can undergo typical organic transformations under mild conditions. It is stable under normal storage conditions but should be protected from moisture and heat.

How is 2-Ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate (CAS: 26225-79-6) typically synthesized?

2-Ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate is usually synthesized through the methylation of 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxylic acid with methanesulfonyl chloride in the presence of a suitable base. The reaction is typically carried out at room temperature with high selectivity and yields over 90%. The use of a phase transfer catalyst can further enhance the efficiency of the synthesis.

What industries use 2-Ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate (CAS: 26225-79-6)?

2-Ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate is primarily used in the pharmaceutical industry as a precursor in the synthesis of various drug molecules. It also finds applications in the polymer industry for the modification of polymer properties, in the production of sensors due to its potential as a chromogenic reagent, and in semiconductor manufacturing as a chemical intermediate.

What precautions should be taken when handling 2-Ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate (CAS: 26225-79-6)?

When handling 2-Ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be used in a well-ventilated area or in a fume hood to minimize inhalation risks. Spills should be carefully cleaned up using absorbent materials, and the area should be well-ventilated. A safety data sheet (SDS) should be consulted for detailed emergency procedures and storage recommendations.