3-Pyrrolidinol supplier | CasNO.40499-83-0

Name
3-Pyrrolidinol
EINECS 254-944-5
CAS No. 40499-83-0
Article Data44
CAS DataBase
Density 1.065 g/cm³
Solubility
Melting Point
Formula C₄H₉NO
Boiling Point 224.7 °C at 760 mmHg
Molecular Weight 87.1216
Flash Point 105.8 °C
Transport Information
Appearance Colorless liquide
Safety 26-37
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (RS)-3-Pyrrolidinol;
PSA 32.26000
LogP -0.33060

Synthetic route

: 775-15-5
1-benzyl-3-pyrrolidinol

: 40499-83-0
pyrrolidin-3-ol

Conditions

Conditions	Yield
With hydrogen; acetic acid; palladium on activated charcoal at 20℃; under 517.148 Torr; for 120h;	92%
With hydrogen; acetic acid; palladium on activated charcoal In ethanol under 3025.3 Torr; for 72h; Parr hydrogenator;	82.9%

: C5H13NO4S*ClH

: 40499-83-0
pyrrolidin-3-ol

Conditions

Conditions	Yield
With sodium hydroxide In methanol at 5 - 20℃; for 2h; Product distribution / selectivity;	92%

: BrH*C4H10BrNO

: 40499-83-0
pyrrolidin-3-ol

Conditions

Conditions	Yield
With sodium hydroxide In methanol at 5 - 20℃; for 1h; Product distribution / selectivity;	87%

: 70442-87-4
1-trimethylsilanyl-2,5-dihydro-pyrrole

: 40499-83-0
pyrrolidin-3-ol

Conditions

Conditions	Yield
	65%

(+-)-1-benzyl-pyrrolidin-3-ol: (+-)-1-benzyl-pyrrolidin-3-ol

: 40499-83-0
pyrrolidin-3-ol

Conditions

Conditions	Yield
With ethanol; palladium Hydrogenation;

(+-)-3-hydroxy-pyrrolidine-1-carboxylic acid ethyl ester: (+-)-3-hydroxy-pyrrolidine-1-carboxylic acid ethyl ester

: 40499-83-0
pyrrolidin-3-ol

Conditions

Conditions	Yield
With barium dihydroxide; water at 110 - 115℃;

(+-)-4-chloro-1,2-epoxy-butane: (+-)-4-chloro-1,2-epoxy-butane

ammonium carbonate: ammonium carbonate

: 40499-83-0
pyrrolidin-3-ol

Conditions

Conditions	Yield
With ammonia; water

: 74889-62-6
(3RS)-3-hydroxy-4-methanesulfonyloxybutyronitrile

: 40499-83-0
pyrrolidin-3-ol

Conditions

Conditions	Yield
aluminum nickel In methanol

: 135969-16-3
(RS)-3-hydroxy-4-(methanesulfonyloxy)butylamine hydrochloride

: 40499-83-0
pyrrolidin-3-ol

Conditions

Conditions	Yield
With sodium carbonate In methanol

: 109-97-7
pyrrole

: 60-29-7
diethyl ether

: 107-13-1
acrylonitrile

A: 40499-83-0
pyrrolidin-3-ol

B: 408309-29-5
2-(ω-carboxyethyl)pyrrole

Conditions

Conditions	Yield
With hydrogenchloride; potassium hydroxide; N-benzyl-trimethylammonium hydroxide

...Expand

palladium carbon Pd(C): palladium carbon Pd(C)

: 105-33-9
4-chloro-3-hydroxybutyronitrile

: 40499-83-0
pyrrolidin-3-ol

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide In methanol; ethanol

: 105-33-9
4-chloro-3-hydroxybutyronitrile

: 40499-83-0
pyrrolidin-3-ol

Conditions

Conditions	Yield
Stage #1: 4-chloro-3-hydroxybutyronitrile With sodium tetrahydroborate; boron trifluoride diethyl etherate In tetrahydrofuran at 75 - 85℃; for 8.5h; Stage #2: With sodium carbonate In tetrahydrofuran; water at 10 - 70℃; for 15h;

: 40499-83-0
pyrrolidin-3-ol

: 58656-98-7
tert-butyl 4-fluorobenzoate

: 94930-28-6
N-<4'-(tert-butoxycarbonyl)phenyl>-3-pyrrolidinol

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide at 136℃; for 7h;	100%
With potassium carbonate In dimethyl sulfoxide at 120 - 125℃; for 6.5h;	91%
With potassium carbonate In dimethyl sulfoxide at 120℃; for 7h;	85%

: 40499-83-0
pyrrolidin-3-ol

: 24424-99-5
di-tert-butyl dicarbonate

: 103057-44-9
N-(tert-butoxycarbonyl)-3-hydroxypyrrolidine

Conditions

Conditions	Yield
In dichloromethane	100%
With triethylamine In dichloromethane at 20℃; for 16h;	100%
In isopropyl alcohol at 20℃; for 2h;	100%

: 40499-83-0
pyrrolidin-3-ol

: 108118-77-0
ethyl 7-chloro-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylate

: 475468-74-7
ethyl 6-fluoro-1,4-dihydro-7-(3-hydroxy-1-pyrrolidinyl)-4-oxo-1-(2-thiazolyl)-1,8-naphthyridine-3-carboxylate

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 1.5h;	100%

: 40499-83-0
pyrrolidin-3-ol

: 611-35-8
4-chloroquinoline

: 1-quinolin-4-yl-pyrrolidin-3-ol

Conditions

Conditions	Yield
In isopropyl alcohol at 100℃;	100%
Stage #1: pyrrolidin-3-ol; 4-chloroquinoline In isopropyl alcohol at 100℃; Stage #2: With potassium carbonate In dichloromethane; water	100%

: 130723-13-6
3-bromo-5-fluorobenzotrifluoride

: 40499-83-0
pyrrolidin-3-ol

: 1198181-38-2
1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol

Conditions

Conditions	Yield
With caesium carbonate; palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In toluene at 90℃; for 16h; Inert atmosphere;	100%
With caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; palladium diacetate In toluene at 90℃; for 16h; Inert atmosphere;	100%

: 40499-83-0
pyrrolidin-3-ol

: 1198181-29-1
4-{[3-bromo-5-(trifluoromethyl)phenyl]carbonyl}thiomorpholine

: 1198181-31-5
1-[3-(thiomorpholin-4-ylcarbonyl)-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol

Conditions

Conditions	Yield
With caesium carbonate; palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In toluene at 90℃; for 16h; Inert atmosphere;	100%
With caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; palladium diacetate In toluene at 90℃; for 16h; Inert atmosphere;	100%

: 40499-83-0
pyrrolidin-3-ol

: 3-((2-chloro-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)phenyl)amino)benzo[d]isothiazole-6-carbaldehyde

: 1-((3-((2-chloro-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)phenyl)amino)benzo[d]isothiazol-6-yl)methyl)pyrrolidin-3-ol

Conditions

Conditions	Yield
Stage #1: pyrrolidin-3-ol; 3-((2-chloro-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)phenyl)amino)benzo[d]isothiazole-6-carbaldehyde With acetic acid In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: With sodium cyanoborohydride In N,N-dimethyl-formamide at 20℃; for 3h;	100%

: 40499-83-0
pyrrolidin-3-ol

: 3-((2-chloro-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)phenyl)amino)benzo[d]isothiazole-5-carbaldehyde

: 1-((3-((2-chloro-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)phenyl)amino)benzo[d]isothiazol-5-yl)methyl)pyrrolidin-3-ol

Conditions

Conditions	Yield
Stage #1: pyrrolidin-3-ol; 3-((2-chloro-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)phenyl)amino)benzo[d]isothiazole-5-carbaldehyde With acetic acid In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: With sodium cyanoborohydride In N,N-dimethyl-formamide at 20℃; for 3h;	100%

: 40499-83-0
pyrrolidin-3-ol

: 956907-14-5
6-((6-bromo-1H-[1,2,3]triazolo[4,5-b]pyrazine-1-yl)methyl)quinoline

: 1-(1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)pyrrolidin-3-ol

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 70℃; for 0.5h; Microwave irradiation;	99%
With potassium carbonate In isopropyl alcohol at 80℃; for 0.333333h; Inert atmosphere; Microwave irradiation;

: 40499-83-0
pyrrolidin-3-ol

: 501-53-1
benzyl chloroformate

: 95656-88-5
benzyl 3-hydroxypyrrolidine-1-carboxylate

Conditions

Conditions	Yield
With sodium carbonate In diethyl ether; water	98%
With triethylamine In dichloromethane at 20℃; for 12h;	57%
In dichloromethane for 20h;	49%

: 40499-83-0
pyrrolidin-3-ol

: 157373-29-0
ethyl 7-chloro-1-(2,4-difluorophenyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate

: rac-ethyl 1-(2,4-difluorophenyl)-7-(3-hydroxypyrrolidin-1-yl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃;	97.5%

: 40499-83-0
pyrrolidin-3-ol

: Trimethyl-[2-(3-methyl-[1,2,4]oxadiazol-5-yl)-ethyl]-ammonium; iodide

: 176762-42-8
1-[2-(3-Methyl-[1,2,4]oxadiazol-5-yl)-ethyl]-pyrrolidin-3-ol

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In methanol; dichloromethane at 20℃; for 3h;	97%

: 40499-83-0
pyrrolidin-3-ol

: 350-46-9
4-Fluoronitrobenzene

: 361346-55-6
1-(4-nitrophenyl)pyrrolidin-3-ol

Conditions

Conditions	Yield
With sodium hydrogencarbonate In 1,4-dioxane; water at 87℃; for 10h; Heating / reflux;	97%
With N-ethyl-N,N-diisopropylamine In acetonitrile for 14h; Heating;

: 40499-83-0
pyrrolidin-3-ol

: 425424-70-0
(E)-3-[2-(4-chloro-6-methyl-pyrimidin-2-yl)-vinyl]-benzonitrile

: (E)-3-{2-[4-(3-hydroxy-pyrrolidin-1-yl)-6-methyl-pyrimidin-2-yl]-vinyl}-benzonitrile

Conditions

Conditions	Yield
	96%

: 40499-83-0
pyrrolidin-3-ol

: 1114592-20-9
6-[(cyclopropylmethyl)(propyl)amino]-N-(4-(formyl-2-methylphenyl))pyrimidine-4-carboxamide

: 1114591-80-8
6-[(cyclopropylmethyl)(propyl)amino]-N-{4-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylphenyl}pyrimidine-4-carboxamide

Conditions

Conditions	Yield
Stage #1: pyrrolidin-3-ol; 6-[(cyclopropylmethyl)(propyl)amino]-N-(4-(formyl-2-methylphenyl))pyrimidine-4-carboxamide In dichloromethane for 0.5h; Stage #2: With sodium tris(acetoxy)borohydride In dichloromethane for 18h;	96%

: 40499-83-0
pyrrolidin-3-ol

: 446-33-3
3-fluoro-6-nitrotoluene

: 361346-63-6
1-(3-methyl-4-nitrophenyl)-pyrrolidin-3-ol

Conditions

Conditions	Yield
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 20℃; for 12h;	95%

: 40499-83-0
pyrrolidin-3-ol

: 1885-14-9
phenyl chloroformate

: 95656-88-5
benzyl 3-hydroxypyrrolidine-1-carboxylate

Conditions

Conditions	Yield
	95%

: 40499-83-0
pyrrolidin-3-ol

: 1439393-21-1
tert-butyl 1-(4-(2-chloro-8-(pyridin-2-yl)-9H-purin-9-yl)phenyl)cyclobutylcarbamate

: 1439393-44-8
(1-{4-[2-(3-hydroxy-pyrrolidin-1-yl)-8-pyridin-2-yl-purin-9-yl]-phenyl}-cyclobutyl)-carbamic acid tert-butyl ester

Conditions

Conditions	Yield
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 120℃; Inert atmosphere;	95%

: 40499-83-0
pyrrolidin-3-ol

: 165261-51-8
9-bromo-N-(2,5-di-tert-butylphenyl)-perylene-3,4-dicarboxylic imide

: C40H38N2O3

Conditions

Conditions	Yield
Stage #1: 9-bromo-N-(2,5-di-tert-butylphenyl)-perylene-3,4-dicarboxylic imide With potassium phosphate In N,N-dimethyl-formamide; toluene for 0.5h; Buchwald-Hartwig Coupling; Schlenk technique; Inert atmosphere; Stage #2: pyrrolidin-3-ol In N,N-dimethyl-formamide; toluene at 100℃; Buchwald-Hartwig Coupling; Schlenk technique; Sealed tube;	95%

: 40499-83-0
pyrrolidin-3-ol

: 114610-03-6
1-ethyl-6,7-difluoro-1,4-dihydro-4-oxocinnoline-3-carboxylic acid

: 114610-07-0
1-Ethyl-6-fluoro-7-(3-hydroxy-pyrrolidin-1-yl)-4-oxo-1,4-dihydro-cinnoline-3-carboxylic acid

Conditions

Conditions	Yield
In ethanol; acetonitrile for 0.5h; Heating;	94.9%

: 40499-83-0
pyrrolidin-3-ol

: 620-73-5
phenyl chloroacetate

: 95656-88-5
benzyl 3-hydroxypyrrolidine-1-carboxylate

Conditions

Conditions	Yield
With sodium hydroxide In diethyl ether for 3h;	94%

: 40499-83-0
pyrrolidin-3-ol

: 150192-19-1
1H-benzotriazol-1-yl 2,2-diphenyl-1,3-benzodioxole-5-carboxylate

: (2,2-diphenyl-benzo[1,3]dioxole-5-yl)-(3-hydroxy-pyrrolidin-1-yl)-methanone

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 3h;	94%

: 40499-83-0
pyrrolidin-3-ol

: 6-acetyl-4-chloro-2-{[2-(trimethylsilyl)ethoxy]methyl}-2H-indazol-7-yl trifluoromethanesulfonate

: 1-(4-chloro-7-(3-hydroxypyrrolidin-1-yl)-2-{[2-(trimethylsilyl)ethoxy]methyl}-2H-indazol-6-yl)ethanone

Conditions

Conditions	Yield
With sodium hydrogencarbonate In acetonitrile at 20 - 50℃; for 2.25h;	94%

: 40499-83-0
pyrrolidin-3-ol

: 24424-99-5
di-tert-butyl dicarbonate

: 77-92-9
citric acid

: 103057-44-9
N-(tert-butoxycarbonyl)-3-hydroxypyrrolidine

Conditions

Conditions	Yield
With triethylamine In dichloromethane	93%

...Expand

: 40499-83-0
pyrrolidin-3-ol

: 1190893-61-8
N2-{2-[1,3-dihydro-2H-isoindol-2-yl(methyl)amino]-2-oxoethyl}-N2-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N1-(2-bromoethyl)glycinamide

: 1190893-63-0
N2-{2-[1,3-dihydro-2H-isoindol-2-yl(methyl)amino]-2-oxoethyl}-N2-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]glycinamide

Conditions

Conditions	Yield
	93%

: 40499-83-0
pyrrolidin-3-ol

: 16271-33-3
2,4-Dichlorobenzenesulfonyl chloride

: (±)-1-((2,4-dichlorophenyl)sulfonyl)pyrrolidin-3-ol

Conditions

Conditions	Yield
With sodium carbonate In dichloromethane; water at 0 - 23℃;	93%

: 40499-83-0
pyrrolidin-3-ol

: 19213-72-0
ethyl 1-imidazolecarboxylate

: 93591-91-4
ethyl 3-hydroxypyrrolidine-1-carboxylate

Conditions

Conditions	Yield
With potassium carbonate In tetrahydrofuran for 15h; Reflux;	92%

: 40499-83-0
pyrrolidin-3-ol

: 7617-93-8
2-bromo-1,4-bis-(trifluoromethyl)-benzene

: 1198180-97-0
1-[2,5-bis(trifluoromethyl)phenyl]pyrrolidin-3-ol

Conditions

Conditions	Yield
With caesium carbonate; palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In toluene at 80℃; for 16h; Inert atmosphere;	91%
With caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; palladium diacetate In 1,4-dioxane; toluene at 80℃; for 16h; Inert atmosphere;	91%

3-Pyrrolidinol Chemical Properties

IUPAC Name: pyrrolidin-3-ol
Empirical Formula: C₄H₉NO
Molecular Weight: 87.1204g/mol
EINECS: 254-944-5
Structure of 3-Pyrrolidinol (CAS NO.40499-83-0):

Index of Refraction: 1.484
Molar Refractivity: 23.38 cm³
Molar Volume: 81.7 cm³
Polarizability: 9.27×10^-24cm³
Surface Tension: 35.6 dyne/cm
Density: 1.065 g/cm³
Flash Point: 105.8 °C
Enthalpy of Vaporization: 53.63 kJ/mol
Boiling Point: 224.7 °C at 760 mmHg
Vapour Pressure: 0.018 mmHg at 25°C
Product Categories: Alcohols and Derivatives
Canonical SMILES: C1CNCC1O
InChI: InChI=1S/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2
InChIKey: JHHZLHWJQPUNKB-UHFFFAOYSA-N

3-Pyrrolidinol Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37:Wear suitable gloves.
WGK Germany: 3
F: 10-34

3-Pyrrolidinol Specification

3-Pyrrolidinol , its cas register number is 40499-83-0. It also can be called Pyrrolidin-3-ol . 3-Pyrrolidinol (CAS NO.40499-83-0) is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Product Name

3-Pyrrolidinol

Synthetic route

3-Pyrrolidinol Chemical Properties

3-Pyrrolidinol Safety Profile

3-Pyrrolidinol Specification

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