ChemicalBook--->CAS DataBase List--->77-23-6

77-23-6

77-23-6 Structure

77-23-6 Structure
IdentificationMore
[Name]

Pentoxyverine
[CAS]

77-23-6
[Synonyms]

1-phenyl-1-cyclopentanecarboxylate
1-Phenylcyclopentane-1-Carboxylic acid diethylaminoethoxyethyl ester
1-phenylcyclopentane-1-carboxylicaciddiethylaminoethoxyethylester
1-phenyl-cyclopentanecarboxylicaci2-(2-(diethylamino)ethoxy)ethylester
1-phenylcyclopentanecarboxylicacid2-(2-diethylaminoethoxy)ethylester
2-(2-Diethylaminoethoxy)ethyl 1-phenylcyclopentanecarboxylate
2-(2-diethylaminoethoxy)ethyl1-phenylcyclopentanecarboxylate
2-(Diethylaminoethoxy)ethyl 1-phenyl-1-cyclopentanecarboxylate
2-(Diethylaminoethoxy)ethyl 1-phenylcyclopentyl-1-carboxylate
2-(diethylaminoethoxy)ethyl1-phenyl-1-cyclopentanecarboxylate
2-(diethylaminoethoxy)ethyl1-phenylcyclopentyl-1-carboxylate
2-[2-(Diemthylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate
Atussil
Cyclopentanecarboxylic acid, 1-phenyl-, 2-[2-(diethylamino)ethoxy]ethyl ester
Ethanol, 2-[2-(diethylamino)ethoxy]-, 1-phenylcyclopentanecarboxylate (ester)
Pentoxiverin
Pentoxiverine
Pentoxyverin
Pentoxyverine
Sedotussin
[EINECS(EC#)]

201-014-1
[Molecular Formula]

C20H31NO3
[MDL Number]

MFCD00209899
[Molecular Weight]

333.465
[MOL File]

77-23-6.mol
Chemical PropertiesBack Directory
[Boiling point ]

165-170 °C (1.33Pa)
[density ]

1.048±0.06 g/cm3(Predicted)
[refractive index ]

1.4990-1.5010
[storage temp. ]

Refrigerator
[solubility ]

Dichloromethane (Slightly), Methanol (Slightly)
[form ]

Oil
[pka]

9.69±0.25(Predicted)
[color ]

Clear Very Dark Red to Brown
[CAS DataBase Reference]

77-23-6(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Cyclopentanecarboxylate, 2-(diethylaminoethoxy)ethyl-1-phenyl-(77-23-6)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Calcium chloride-->Diethylamine-->Trichloroethylene-->1-Phenylcyclopentanecarboxylic acid-->1,4-Dibromobutane-->phenylacetonitrile-->1-Phenyl-1-cyclopentanecarbonitrile-->α-Phenylcyclopentanecarbonyl chloride-->Sesamol-->6-Ethyl-3-oxa-6-azaoctanol-->Sodium amide-->Thionyl chloride
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-(2-Diethylaminoethoxy)ethyl 1-phenylcyclopentane-1-carboxylate(77-23-6).msds
Safety DataBack Directory
[Hazardous Substances Data]

77-23-6(Hazardous Substances Data)
[Toxicity]

LD50 oral in rat: 150mg/kg
Hazard InformationBack Directory
[Chemical Properties]

Oily substance. Boiling point 165-170℃ (1.33Pa), refractive index 1.4990-1.5010.
[Originator]

Asthma ,Nichiiko
[Uses]

Carbetapentane is an antitussive anticonvulsant sigma site agonist.
[Definition]

ChEBI: 1-phenyl-1-cyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester is a member of benzenes.
[Manufacturing Process]

1-Phenylcyclopentane carbonitrile was obtained by treatment of phenylacetonitrile with sodium amide and 1,4-dibrombutane.
1-Phenyl-1-cyclopentane carboxylic acid was produced in the result of reaction of 1-phenylcyclopentane carbonitrile with sulfuric acid.
1-Phenyl-1-cyclopentanecarbonyl chloride was obtained by treatment of 1phenyl-1-cyclopentane carboxylic acid with thionyl chloride.
A mixture of 0.5 mol of 1-phenyl-1-cyclopentanecarbonyl chloride and of 0.5 mol of 2-(2-diethylaminoethoxy)ethanol (herein-after referred to as the amino alcohol) in 300 ml of toluene is heated under reflux for 20 h. The mixture is thereafter made alkaline by means of an aqueous solution of caustic soda and decanted; the toluenic layer is washed with water and concentrated in vacuo. The residue is distilled under high vacuum. After two fractional distillations, the 2-(2-diethylaminoethoxy)ethyl 1-phenylcyclopentane-carboxylate is obtained, in 85% yield. Boiling point 164°C/0.1 mm. Hg.
[Brand name]

Toclase (Pfizer).
[Therapeutic Function]

Antitussive
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

Pentoxyverine(77-23-6)MS
Pentoxyverine(77-23-6)1HNMR
Pentoxyverine(77-23-6)IR1
Pentoxyverine(77-23-6)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

77-23-6(sigmaaldrich)
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