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ChemicalBook--->CAS DataBase List--->104706-47-0

104706-47-0

104706-47-0 Structure

104706-47-0 Structure
IdentificationMore
[Name]

(R)-(-)-3-Pyrrolidinol hydrochloride
[CAS]

104706-47-0
[Synonyms]

3-FURANAMINE, TETRAHYDRO-, (R)-, HYDROCHLORIDE
3-PYRROLIDINOL, HYDROCHLORIDE, (3R)-
3-PYRROLIDINOL, HYDROCHLORIDE, (3S)
3R-HYDROXYPYROLIDINE HCL
(R)-3-AMINOTETRAHYDROFURAN HYDROCHLORIDE
(R)-3-HYDROXYPYRROLIDINE HCL
(R)-(-)-3-HYDROXYPYRROLIDINE HYDROCHLORIDE
(R)-3-HYDROXYPYRROLIDINE HYDROCHLORIDE
(R)-(-)-3-PYRROLIDINOL HYDROCHLORIDE
(R)-(+)-3-PYRROLIDINOL HYDROCHLORIDE
(R)-3-PYRROLIDINOL HYDROCHLORIDE
(R)-PYRROLIDINE-3-OL HYDROCHLORIDE
(R)-TETRAHYDROFURAN-3-AMINE HYDROCHLORIDE
(S)-3-HYDROXY PYRROLIDINE HCL
(S)-3-HYDROXYPYRROLIDINE HYDROCHLORIDE
(S)-(-)-3-PYRROLIDINOL HYDROCHLORIDE
(S)-3-PYRROLIDINOL HYDROCHLORIDE
(S)-PYRROLIDIN-3-OL HCL
(S)-PYRROLIDINE-3-OL HYDROCHLORIDE
TIMTEC-BB SBB004272
[EINECS(EC#)]

600-598-9
[Molecular Formula]

C4H10ClNO
[MDL Number]

MFCD00272298
[Molecular Weight]

123.58
[MOL File]

104706-47-0.mol
Chemical PropertiesBack Directory
[Melting point ]

104-107 °C(lit.)
[alpha ]

-7.6°(20/D, c=3,5, CH3OH)
[refractive index ]

-7.8 ° (C=3.5, MeOH)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Soluble in DMSO.
[form ]

Solid
[color ]

Pale Brown
[optical activity]

[α]20/D 7.6°, c = 3.5 in methanol
[Detection Methods]

T
[BRN ]

4450078
[InChI]

InChI=1/C4H9NO.ClH/c6-4-1-2-5-3-4;/h4-6H,1-3H2;1H/t4-;/s3
[InChIKey]

QPMSJEFZULFYTB-PGMHMLKASA-N
[SMILES]

[C@H]1(O)CNCC1.Cl |&1:0,r|
[CAS DataBase Reference]

104706-47-0(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[F ]

3-10
[HS Code ]

29339900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium hydroxide-->Hydrochloric acid-->Ethyl acetate-->Methanol-->Tetrahydrofuran-->Dichloromethane-->Acetic acid-->PETROLEUM ETHER-->Lithium Aluminum Hydride-->Sodium borohydride-->Acetyl chloride-->Calcium chloride-->Benzylamine-->Cyclohexanol-->HEAVY DISTILLATE-->L-Hydroxyproline-->2-Cyclohexen-1-one-->D(+)-Malic acid
Hazard InformationBack Directory
[Chemical Properties]

Llight brown crystalline
[Uses]

(R)-(-)-3-Pyrrolidinol hydrochloride is a chiral hydroxy derivative of pyrrlodine used in the preparation of chiral niologically active compounds such as muscarinic receptor antagonists and antimicrobial agents.
[Purification Methods]

The (±)-isomer is purified by repeated distillation ( b 102-104o/12mm, 108-110o/18mm), and the (±)-picrate crystallises from EtOH with m 140-141o. The R(+)-enantiomer has b 70o/0.6mm and [] D +5.6o (c 3.63, MeOH). Its hydrochloride has a negative rotation and its dimethiodide has m 230o and [] 24 -8.02o. [Suyama & Kanno Yakugaku Zasshi (J Pharm Soc Japan) 85 531 1965, Uno et al. J Heterocycl Chem 24 1025 1987, Flanagan & Joullie Heterocycles 26 2247 1987, Beilstein 21 III/IV 44.]
Spectrum DetailBack Directory
[Spectrum Detail]

(R)-(-)-3-Pyrrolidinol hydrochloride(104706-47-0)MS
(R)-(-)-3-Pyrrolidinol hydrochloride(104706-47-0)1HNMR
(R)-(-)-3-Pyrrolidinol hydrochloride(104706-47-0)13CNMR
(R)-(-)-3-Pyrrolidinol hydrochloride(104706-47-0)IR1
(R)-(-)-3-Pyrrolidinol hydrochloride(104706-47-0)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

104706-47-0(sigmaaldrich)
[TCI AMERICA]

(R)-(-)-3-Pyrrolidinol Hydrochloride,>98.0%(T)(104706-47-0)
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