ChemicalBook--->CAS DataBase List--->4441-30-9

4441-30-9

4441-30-9 Structure

4441-30-9 Structure
IdentificationMore
[Name]

3-Morpholinopropanol
[CAS]

4441-30-9
[Synonyms]

3-(4-MORPHOLINE)PROPANOL
3-(4-morpholinyl)-1-propanol
3-MORPHOLIN-4-YL-PROPAN-1-OL
3-MORPHOLIN-4-YL-PROPAN-OL
3-MORPHOLINOPROPANOL
4-(3-HYDROXYPROPYL)MORPHOLINE
4-MORPHOLINEPROPANOL
AKOS BC-0903
gamma-morpholinopropanol
3-(4-Morpholinyl)-1-propanol, 3-Morpholinopropanol
3-Morpholino-1-propanol
[Molecular Formula]

C7H15NO2
[MDL Number]

MFCD01713533
[Molecular Weight]

145.2
[MOL File]

4441-30-9.mol
Chemical PropertiesBack Directory
[Melting point ]

110-111.5 °C
[Boiling point ]

240-241 °C(lit.)
[density ]

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

n20/D 1.4770(lit.)
[Fp ]

185 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[pka]

15.07±0.10(Predicted)
[color ]

Light yellow to Yellow to Orange
[InChI]

1S/C7H15NO2/c9-5-1-2-8-3-6-10-7-4-8/h9H,1-7H2
[InChIKey]

VZKSLWJLGAGPIU-UHFFFAOYSA-N
[SMILES]

OCCCN1CCOCC1
[CAS DataBase Reference]

4441-30-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P260-P280-P303+P361+P353-P304+P340+P310-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 .
[RIDADR ]

3267
[WGK Germany ]

2
[RTECS ]

QE9104700
[HazardClass ]

8
[PackingGroup ]

[HS Code ]

2933998090
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Repr. 2
Skin Corr. 1B
Hazard InformationBack Directory
[Uses]

4-(3-Hydroxypropyl)morpholine may be used in the synthesis of macrocyclic urea compounds, which can act as potent Chk1 inhibitors.
[Synthesis]

Morpholine

110-91-8

3-Bromo-1-propanol

627-18-9

3-Morpholinopropanol

4441-30-9

To the reaction flask was added 913.5 g of toluene as solvent, followed by 174 g of morpholine and 556 g of 3-bromo-1-propanol. Under stirring conditions, 331.2 g of potassium carbonate was slowly added as a base. The reaction mixture was heated to 75-80 °C and the reaction was maintained at this temperature with stirring for 8 hours. Upon completion of the reaction, pressurized filtration was performed to remove solid impurities. Subsequently, the filtrate was concentrated to remove toluene and unreacted feedstocks, resulting in 278.4 g of a pale yellow oily liquid, the target product 3-(4-morpholinyl)-1-propanol. The molar yield of this step was 96% and the purity of the product was 98.5%.

[References]

[1] Patent: CN106045942, 2016, A. Location in patent: Paragraph 0023; 0020
[2] Patent: CN103382206, 2016, B. Location in patent: Paragraph 0235-0238
[3] Journal of Medicinal Chemistry, 2004, vol. 47, # 4, p. 871 - 887
[4] Patent: WO2004/108677, 2004, A1. Location in patent: Page 141
[5] Patent: US6265411, 2001, B1
Spectrum DetailBack Directory
[Spectrum Detail]

3-Morpholinopropanol(4441-30-9)1HNMR
3-Morpholinopropanol(4441-30-9)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

4441-30-9(sigmaaldrich)
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