ChemicalBook--->CAS DataBase List--->104-58-5

104-58-5

104-58-5 Structure

104-58-5 Structure
IdentificationMore
[Name]

1-Piperidinepropanol
[CAS]

104-58-5
[Synonyms]

1-PIPERIDINEPROPANOL
3-N-PIPERIDINO-1-PROPANOL
3-PIPERIDINOPROPAN-1-OL
AKOS BC-0904
BUTTPARK 75\06-09
1-(3-Hydroxypropyl)piperidine
1-Propanol, 3-piperidino-
3-(1-Piperidino)propanol
3-(1-Piperidinyl)propanol
3-Piperidino-1-propanol
3-Piperidinopropanol
gamma-Piperidinopropanol
piperidine-1-propanol
1-PIPERIDINEPROPANOL 97%
3-N-PIPERIDINO-1-PROPANOL 95%
1-Piperidine-1-propanol
[EINECS(EC#)]

203-216-5
[Molecular Formula]

C8H17NO
[MDL Number]

MFCD00023781
[Molecular Weight]

143.23
[MOL File]

104-58-5.mol
Chemical PropertiesBack Directory
[Boiling point ]

94-95 °C/0.5 mmHg (lit.)
[density ]

0.944 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.4775(lit.)
[Fp ]

208 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

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

liquid
[pka]

15.12±0.10(Predicted)
[color ]

Colourless to light yellow
[InChI]

InChI=1S/C8H17NO/c10-8-4-7-9-5-2-1-3-6-9/h10H,1-8H2
[InChIKey]

PLRXAFVBCHEMGD-UHFFFAOYSA-N
[SMILES]

N1(CCCO)CCCCC1
[CAS DataBase Reference]

104-58-5(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Piperidinepropanol(104-58-5)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[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
[RTECS ]

TN2414500
[HS Code ]

2933399990
Hazard InformationBack Directory
[Uses]

1-Piperidinepropanol is used in preparation of Ionizable Amine lipids for lipid Nanoparticle compounds that deliver Nucleic Acids.
[Uses]

Reactant in: Mitsunobu reaction of intramolecular nitrile oxide-alkene cycloadditions1 Suzuki-coupling2Reactant for synthesis of: Histamine H3 receptor antagonists3 Protein lysine methyltransferase G9a inhibitors4 Serotonin-4 receptors antagonists5 Checkpoint kinase Chk2 inhibitors6
[Synthesis]

METHYL 3-(PIPERIDIN-1-YL)PROPANOATE

23573-93-5

1-Piperidinepropanol

104-58-5

Step 2: Synthesis of 3-(piperidin-1-yl)propanol Anhydrous tetrahydrofuran (80 mL) was added to a dry three-necked flask and the reaction system was cooled to 0 °C. Lithium aluminum hydride (3.5 g, 93.4 mmol) was added to the flask in batches followed by slow dropwise addition of a tetrahydrofuran solution of methyl 3-(piperidin-1-yl)propionate (8.0 g, 46.7 mmol). After the dropwise addition was completed, the reaction mixture was gradually warmed up to room temperature and the reaction was continued with stirring for 2 hours. Upon completion of the reaction, the mixture was re-cooled to 0°C. Purified water (10 mL), 15% aqueous NaOH solution (10 mL) and purified water (30 mL) were added sequentially to the cooled mixture to quench the reaction. The resulting white solid was removed by filtration and the filtrate was concentrated to afford a yellow oily product, 3-(piperidin-1-yl)propanol (4.0 g), which could be used in subsequent steps without further purification.

[References]

[1] Tetrahedron, 2007, vol. 63, # 52, p. 12903 - 12911
[2] Patent: EP3181554, 2017, A1. Location in patent: Paragraph 0253
Spectrum DetailBack Directory
[Spectrum Detail]

1-Piperidinepropanol(104-58-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

104-58-5(sigmaaldrich)
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