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| CAS No.: | 122536-94-1 |
|---|---|
| Name: | (S)-3-Hydroxypyrrolidine hydrochloride |
| Article Data: | 6 |
| Molecular Structure: | |
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|
|
| Formula: | C4H9NO.HCl |
| Molecular Weight: | 123.582 |
| Synonyms: | (S)-pyrrolidin-3-ol hydrochloride;(S)-3-Hydroxypyrrolidine HCl;(3S)-3-Hydroxypyrrolidine hydrochloride;(S)-3-Pyrrolidinol Hydrochloride; |
| EINECS: | 672-315-7 |
| Melting Point: | 104-107 °C |
| Boiling Point: | 224.7 °C at 760 mmHg |
| Flash Point: | 105.8 °C |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| Safety: | 26-37 |
| PSA: | 32.26000 |
| LogP: | 0.47140 |
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- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
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- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 101469-91-4
(3S)-1-benzyl-3-hydroxypyrrolidine-2,5-dione
- 122536-94-1
(S)-3-hydroxypyrrolidine hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: (3S)-1-benzyl-3-hydroxypyrrolidine-2,5-dione With palladium 10% on activated carbon; hydrogen In ethanol at 75℃; under 4125.41 Torr; for 5h; Autoclave; Stage #2: With hydrogenchloride In isopropyl alcohol at 20℃; Temperature; Pressure; | 88% |
- 127913-44-4
(S)-4-chloro-3-hydroxy butyronitrile
- 122536-94-1
(S)-3-hydroxypyrrolidine hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride; hydrogen In methanol; water at 80℃; under 7600.51 Torr; |
- 101469-92-5
(S)-3-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester
- 122536-94-1
(S)-3-hydroxypyrrolidine hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In 1,4-dioxane for 0.5h; | |
| With hydrogenchloride In 1,4-dioxane for 0.5h; Inert atmosphere; | |
| With hydrogenchloride In ethyl acetate at 20℃; for 12h; | 21 g |
- 477779-05-8
3-pyrrolidinophenethyl mesylate
- 122536-94-1
(S)-3-hydroxypyrrolidine hydrochloride
- 477779-11-6
(S)-3-hydroxy-1-(3-pyrrolidinophenethyl)-pyrrolidine
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetonitrile at 100℃; for 12h; | 100% |
- 633328-95-7
5-bromo-2-chloro-4-methyl-pyrimidine
- 122536-94-1
(S)-3-hydroxypyrrolidine hydrochloride
- 1578253-13-0
(S)-1-(5-bromo-4-methylpyrimidin-2-yl)pyrrolidin-3-ol
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In ethanol at 75℃; for 18h; | 100% |
- 40191-32-0
tetrahydro-2H-pyran-4-carbonylchloride
- 122536-94-1
(S)-3-hydroxypyrrolidine hydrochloride
- 1354691-47-6
[(3S)-3-hydroxypyrrolidin-1-yl](tetrahydro-2H-pyran-4-yl)methanone
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 3 - 10℃; for 1.5h; | 98% |
| With triethylamine In dichloromethane at 3 - 10℃; for 1.5h; | 98% |
| With triethylamine In dichloromethane at 3 - 10℃; for 1.5h; | 98% |
| With triethylamine In dichloromethane at -3 - 20℃; for 1.5h; | 98% |
- 122536-94-1
(S)-3-hydroxypyrrolidine hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: (5RS)-2-(3-chloro-4-fluorobenzyl)-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid With triethylamine; HATU In tetrahydrofuran at 20℃; for 0.25h; Stage #2: (S)-3-hydroxypyrrolidine hydrochloride In tetrahydrofuran at 20℃; | 97% |
- 24424-99-5
di-tert-butyl dicarbonate
- 122536-94-1
(S)-3-hydroxypyrrolidine hydrochloride
- 101469-92-5
(S)-3-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester
| Conditions | Yield |
|---|---|
| With triethylamine In methanol; dichloromethane at 0℃; for 1h; | 96% |
| With triethylamine In methanol at 0 - 20℃; for 6h; | 95% |
| With triethylamine In methanol at 20℃; for 6h; | 95% |
- 122536-94-1
(S)-3-hydroxypyrrolidine hydrochloride
| Conditions | Yield |
|---|---|
| With triethylamine In isopropyl alcohol at 75℃; for 1h; | 96% |
| With triethylamine In isopropyl alcohol at 20℃; for 18h; | 73% |
- 24424-99-5
di-tert-butyl dicarbonate
- 122536-94-1
(S)-3-hydroxypyrrolidine hydrochloride
- 133955-86-9
N-tert-butoxycarbonyl-(S)-pyrrolidinol
| Conditions | Yield |
|---|---|
| With triethylamine In methanol at 0 - 20℃; for 3h; | 95% |
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Specification
The (S)-3-hydroxypyrrolidine hydrochloride , with the CAS register number 122536-94-1 , has the IUPAC Name & Systematic name of (3S)-pyrrolidin-3-ol hydrochloride . And it could also be called as (s)-pyrrolidin-3-ol hcl ; (s)-pyrrolidine-3-ol hydrochloride ; timtec-bb sbb004272 ; (s)-3-hydroxy pyrrolidine hcl ; (s)-(-)-3-pyrrolidinol hydrochloride ; (s)-3-pyrrolidinol hydrochloride ; 3-pyrrolidinol,hydrochloride,(3s) .
The characteristics of this kind of chemical are as below: (1)ACD/BCF (pH 5.5): 1 ; (2)ACD/BCF (pH 7.4): 1 ; (3)ACD/KOC (pH 5.5): 1 ; (4)ACD/KOC (pH 7.4): 1 ; (5)#H bond acceptors: 2 ; (6)#H bond donors: 2 ; (7)#Freely Rotating Bonds: 1 ; (8)Polar Surface Area: 9.23 ; (9)Flash Point: 105.8 °C ; (10)Enthalpy of Vaporization: 53.63 kJ/mol ; (11)Boiling Point: 224.7 °C at 760 mmHg ; (12)Vapour Pressure: 0.018 mmHg at 25°C .
It is almost white crystalline powder. And being a kind of irritant chemical, it may also cause inflammation to the skin or other mucous membranes. So while using it, we should be careful. Wear suitable protective clothing, gloves to protect ourselves. And if in case of any accident, seek for the medical help immediately.
The product categories of (S)-3-hydroxypyrrolidine hydrochloride include alcohols and derivatives, pharmacetical, pyrrole&pyrrolidine&pyrroline, chiral, heterocyclic compounds, benzenes, organic material, and chiral chemicals. And the raw materials for this chemical are in the listing: etanol , sodium hydroxide , hydrochloric acid , ethyl acetate , methanol , tetrahydrofuran , dichloromethane , acetic acid glacial , petroleum ether , lithium aluminium hydride, sodium borohydride , acetyl chloride , calcium chloride , benzylamine , heavy distillate , l(-)-malic acid . As for its usage, it is usually applied in the pharmaceutic intermediate, such as being the intermediate as 3(S)-(+)-(1-carbamoyl-1, 1- Diphenylmethyl) pyrrolidine-L (+)-Tartrate .
In addition, you could convert the following data information into the molecular structure:
SMILES: Cl.O[C@H]1CCNC1
InChI: InChI=1/C4H9NO.ClH/c6-4-1-2-5-3-4;/h4-6H,1-3H2;1H/t4-;/m0./s1
InChIKey: QPMSJEFZULFYTB-WCCKRBBIBD