2-[2-(Diethylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate | CAS No. 77-23-6

2-[2-(Diethylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate

Basic Information

CAS Number

77-23-6

Molecular Formula

C20H31NO3

Molecular Weight

333.47 g/mol

AD

Basic Physical Properties

Melting Point

90-95

Boiling Point

165-170 ºC (1.33Pa)

Density

1.048

Flash Point

217

Refractive Index

1.4990-1.5010

Vapor Pressure

0.0±1.0 mmHg at 25°C

CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2

InChI

InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3

InChIKey

CFJMRBQWBDQYMK-UHFFFAOYSA-N

LogP

3.400000000000002

Topological Polar Surface Area

38.77 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

356

Safety Information

View Safety Information

Hazard Statement

Synonyms & References

English

  • Pentoxyverine [INN:BAN]
  • NCGC00024595-01
  • 2-(Diethylaminoethoxy)ethyl 1-phenyl-1-cyclopentanecarboxylate
  • SBI-0050301.P003
  • Pentoxiverine
  • DTXCID102734
  • 2-[2-(Diemthylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate
  • PENTOXYVERINE [INN]
  • Tox21_110909
  • PENTOXYVERINE [MART.]
  • CHEMBL73234
  • NINDS_000356
  • Q174786
  • 1-phenylcyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester
  • 1-phenyl-1-cyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester
  • 2-(Diethylaminoethoxy)ethyl 1-phenylcyclopentyl-1-carboxylate
  • BRD-K06181161-048-04-5
  • 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate
  • CARBETAPENTANE [MI]
  • pentoxyverin-
  • Lopac0_000313
  • PENTOXYVERINE (BASE)
  • PDSP1_001673
  • 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate
  • KBioSS_001846
  • Cyclopentanecarboxylic acid, 1-phenyl-, 2-(2-(diethylamino)ethoxy)ethylester
  • Ethanol, 2-[2-(diethylamino)ethoxy]-, 1-phenylcyclopentanecarboxylate (ester)
  • SCHEMBL67879
  • CCG-204408
  • MS-25033
  • BSPBio_000573

MDL Number

MFCD00209899

Customs Code

2921300090

FAQ

What are the physical and chemical properties of 2-[2-(Diethylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate (CAS: 77-23-6)?

2-[2-(Diethylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate (CAS: 77-23-6) is a colorless to pale yellow liquid with a molecular weight of approximately 336.41 g/mol. It has a pKa value of around 4.2 and is soluble in organic solvents like ethanol and acetone. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions.

How is 2-[2-(Diethylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate (CAS: 77-23-6) typically synthesized?

2-[2-(Diethylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate (CAS: 77-23-6) is synthesized via a multi-step process involving the reaction of 1-phenylcyclopentanecarboxylic acid with diethanolamine followed by alkylation with diethyl bromoacetate. The reaction conditions include the use of a base like triethylamine to enhance the reaction yield.

What industries use 2-[2-(Diethylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate (CAS: 77-23-6)?

2-[2-(Diethylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate (CAS: 77-23-6) is primarily used in the pharmaceutical industry as a precursor for drug synthesis and in the polymer industry for the development of functional materials with tailored properties. It also finds applications in the production of sensors and as a reagent in semiconductor manufacturing processes.

What precautions should be taken when handling 2-[2-(Diethylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate (CAS: 77-23-6)?

When handling 2-[2-(Diethylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate (CAS: 77-23-6), it is important to wear appropriate personal protective equipment (PPE), including gloves and goggles. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation of vapors. In case of a spill, it should be contained and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed instructions.

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