Methyl (1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate | CAS No. 122188-02-7

Methyl (1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate

Basic Information

CAS Number

122188-02-7

Molecular Formula

C18H23NO3

Molecular Weight

301.39 g/mol

AD

Basic Physical Properties

Boiling Point

447.4ºC at 760 mmHg

Density

1.132 g/cm3

Flash Point

224.4ºC

Refractive Index

1.566

CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)OC

InChI

InChI=1S/C18H23NO3/c1-4-12-7-6-8-13-14-9-10-22-18(5-2,11-15(20)21-3)17(14)19-16(12)13/h6-8,19H,4-5,9-11H2,1-3H3

InChIKey

CRRWJZHQYUTACF-UHFFFAOYSA-N

LogP

3.471400000000002

Topological Polar Surface Area

51.32000000000001 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

413

Synonyms & References

English

  • SCHEMBL6629123
  • 1,8-Diethyl-1,3,4,9-tetrahydro-pyrano [3,4-b] indole-1-acetic acid methyl ester
  • Methyl2-(1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate
  • 9ZJE4H85SV
  • Methyl 2-(1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate
  • FT-0655516
  • Methyl1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetate
  • Q-201100
  • Methyl 2-[(1RS)-1,8-Diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetate; Etodolac Imp. K (EP); Etodolac Methyl Ester; Etodolac Impurity K
  • rac-Etodolac Methyl Ester
  • Pyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro-, methyl ester
  • UNII-9ZJE4H85SV
  • Methyl ((1RS)-1,8-diethyl-1,3,4,9-tetrahydropyrano(3,4-b)indol-1-yl)acetate
  • 1,8-Diethyl-1,3,4,9-tetrahydropyrano-3,4-$b-indole-1-acetic acid methyl ester
  • Etodolac methyl ester
  • AC-4237
  • 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid methyl ester
  • BS-42122
  • AKOS015895577
  • Methyl 2-(1,8-diethyl-1,3,4,9-tetrahydropyrano(3,4-b)indol-1-yl)acetate
  • methyl 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoate
  • DTXSID60881392
  • ETODOLACMETHYLESTER
  • methyl 1,8-diethyl-1,3,4,9-tetrahydropyrano(3,4-b)-indole-1-acetate
  • Methyl 2-[(1RS)-1,8-Diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetate (Etodolac Methyl Ester)
  • A804854
  • 1,8-Diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indole-1-acetic Acid Methyl Ester
  • 122188-02-7
  • MFCD02684434
  • FT-0642978
  • AC-7752

MDL Number

MFCD02684434

Customs Code

2942000000

FAQ

What are the physical and chemical properties of Methyl (1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate (CAS: 122188-02-7)?

Methyl (1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate is a crystalline compound with a molecular weight of approximately 332.42 g/mol. It has a limited water solubility and is soluble in organic solvents like ethanol and acetone. The compound is moderately reactive, showing some susceptibility to hydrolysis and oxidation. It exhibits a characteristic UV absorbance peak at 280 nm, which can be used for analytical purposes.

How is Methyl (1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate (CAS: 122188-02-7) typically synthesized?

Methyl (1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate is synthesized via a multistep reaction involving the condensation of 1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole with acetic anhydride. The reaction is typically carried out in the presence of a catalytic amount of a protonic acid like sulfuric acid to promote the acetylation step. The overall yield ranges from 60% to 75%, depending on the reaction conditions.

What industries use Methyl (1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate (CAS: 122188-02-7)?

Methyl (1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate is primarily used in the pharmaceutical industry as a precursor for the synthesis of indole derivatives with potential bioactivity. It also finds applications in the polymer and sensor industries due to its unique chemical and physical properties.

What precautions should be taken when handling Methyl (1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate (CAS: 122188-02-7)?

When handling Methyl (1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate, appropriate personal protective equipment (PPE) should be worn, including gloves and safety glasses. The compound should be stored in a cool, dry place away from direct sunlight. In the event of a spill, it should be handled using appropriate spill kits, and the area should be ventilated. The safety data sheet (SDS) should be consulted for detailed handling and disposal information.

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