ChemicalBook--->CAS DataBase List--->90-22-2

90-22-2

90-22-2 Structure

90-22-2 Structure
IdentificationMore
[Name]

Valethamate bromide
[CAS]

90-22-2
[Synonyms]

diethyl(methyl)(2-(3-methyl-2-phenylvaleryloxy)ethyl)ammonium bromide
N-[2-(2-METHYL-1-PHENYLBUTYLCARBONYLOXY)ETHYL]DIETHYLMETHYLAMMONIUM BROMIDE
N,N-DIETHYL-N-METHYL-2-[(3-METHYL-1-OXO-2-PHENYLPENTYL)OXY]ETHANAMINIUM BROMIDE
N,N-DIETHYL-N-METHYL-2-[(3-METHYL-1-OXO-2-PHENYLPENTYL)-OXY] ETHANAMMONIUM BROMIDE
VALETHAMATE BROMIDE
2-((3-methyl-2-phenylvaleryl)oxy)-n,n-diethyl-n-methyl-ethanaminiubromid
2-diethylaminoethyl2-phenyl-3-methylvaleratemethylbromide
2-diethylaminoethyl3-methyl-2-phenylvaleratemethylbromide
3-methyl-2-phenylvalericacid2-diethylaminoethylestermethylbromide
3-methyl-2-phenylvalericaciddiethyl(2-hydroxyethyl)methylammoniumbromidee
3-methyl-2-phenyl-valericaciesterwithdiethyl(2-hydroxyethyl)methylamm
ammonium,diethyl(2-hydroxyethyl)methyl-,bromide,3-methyl-2-phenylvalerate
diethyl(2-hydroxyethyl)methylammonium3-methyl-2-phenylvaleratebromide
diethyl(2-hydroxyethyl)methyl-ammoniumbromide3-methyl-2-phenylvalerate
ediposin
epidosin
epidozin
murel
phenylmethylvaleriansaeure-beta-diaethylaminoaethylester-brommethylat
resitan
[EINECS(EC#)]

201-977-8
[Molecular Formula]

C19H32BrNO2
[MDL Number]

MFCD00031617
[Molecular Weight]

386.37
[MOL File]

90-22-2.mol
Chemical PropertiesBack Directory
[Melting point ]

120-127℃
[RTECS ]

BP7600000
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

DMSO : 100 mg/mL (258.82 mM; Need ultrasonic)
[Water Solubility ]

almost transparency in Water
[form ]

Powder
[color ]

White to Almost white
[Merck ]

9906
[CAS DataBase Reference]

90-22-2(CAS DataBase Reference)
Safety DataBack Directory
[HS Code ]

2923.90.0100
[Safety Profile]

Poison by ingestion, subcutaneous, and intravenous routes. See also ESTERS and BROMIDES. When heated to decomposition it emits very toxic fumes of NOx, NH3, and Br-.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Valethamate bromide(90-22-2).msds
Hazard InformationBack Directory
[Originator]

Murel,Ayerst,US
[Definition]

ChEBI:Valethamate bromide is an alkylbenzene.
[Manufacturing Process]

Benzyl cyanide is first reacted with 2-butylbromide in the presence of sodium amide to give 2-phenyl-3-methylvaleronitrile which is hydrolyzed by sulfuric acid to give 3-methyl-2-phenylpentanoic acid. 24 g of 2-phenyl-3- methylpentanoic acid are heated for one hour at 175° to 185°C with 30 g of 2-diethylaminoethanol and 0.5 g of sodium methylate. The excess diethylaminoethanol is removed in vacuo, the residue is dissolved in 300 cc of 2 N-acetic acid, the acid solution is shaken with ether and made alkaline with concentrated potassium carbonate solution and ice. The ether solution is washed with water, dried with sodium sulfate and evaporated. The residue is distilled under high vacuum, yielding 20 to 21 g of the basic ester (60% of the theoretical) is obtained, the ester boiling at 98° to 100°C at a pressure of 0.03 mm. The hydrochloride of the ester melts at 112°to 113°C and the methobromide at 100° to 101°C.
[Therapeutic Function]

Anticholinergic
[storage]

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

Valethamate bromide(90-22-2)MS
Valethamate bromide(90-22-2)13CNMR
Valethamate bromide(90-22-2)IR1
Valethamate bromide(90-22-2)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

90-22-2(sigmaaldrich)
[TCI AMERICA]

Valethamate Bromide,>98.0%(T)(90-22-2)
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